data_2v1n_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2v1n _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 18.0 tpt . . . . . 0 N--CA 1.478 0.961 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -64.85 -52.57 55.94 Favored 'General case' 0 C--N 1.361 1.091 0 O-C-N 119.627 -1.92 . . . . 0.0 111.923 173.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -71.08 -53.26 15.26 Favored 'General case' 0 C--N 1.359 0.986 0 N-CA-C 117.226 2.306 . . . . 0.0 117.226 174.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -73.79 -35.42 64.92 Favored 'General case' 0 C--N 1.363 1.193 0 C-N-CA 124.889 1.276 . . . . 0.0 113.48 -176.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . 0.29 5.2 t -72.55 -30.45 64.45 Favored 'General case' 0 C--N 1.374 1.655 0 O-C-N 121.16 -0.962 . . . . 0.0 113.093 173.038 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -70.55 -50.43 37.6 Favored 'General case' 0 C--N 1.371 1.539 0 CA-C-N 119.093 0.861 . . . . 0.0 112.641 172.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -66.83 -39.28 87.61 Favored 'General case' 0 C--N 1.37 1.476 0 C-N-CA 125.28 1.432 . . . . 0.0 113.951 175.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -71.2 -53.12 15.54 Favored 'General case' 0 C--N 1.372 1.556 0 CA-C-O 116.772 -1.585 . . . . 0.0 112.237 173.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.551 HH11 HD13 ' A' ' 28' ' ' LEU 0.361 34.6 ttp85 -70.81 -28.77 64.88 Favored 'General case' 0 C--N 1.373 1.592 0 CA-C-N 123.86 3.027 . . . . 0.0 115.415 177.518 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -64.89 -51.75 60.23 Favored 'General case' 0 C--N 1.37 1.471 0 O-C-N 119.074 -2.266 . . . . 0.0 113.762 174.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -77.17 -37.78 53.07 Favored 'General case' 0 C--N 1.354 0.761 0 N-CA-C 114.439 1.274 . . . . 0.0 114.439 175.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -69.09 -47.6 64.8 Favored 'General case' 0 C--N 1.365 1.28 0 CA-C-N 121.171 1.805 . . . . 0.0 112.447 178.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.551 HD13 HH11 ' A' ' 24' ' ' ARG . 0.0 OUTLIER -66.8 -34.37 77.68 Favored 'General case' 0 C--N 1.368 1.378 0 C-N-CA 125.336 1.454 . . . . 0.0 112.865 176.062 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.02 -44.81 72.0 Favored 'General case' 0 C--N 1.384 2.09 0 N-CA-C 113.137 0.792 . . . . 0.0 113.137 170.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.62 -38.13 88.55 Favored 'General case' 0 C--N 1.364 1.22 0 C-N-CA 127.151 2.181 . . . . 0.0 114.419 177.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.58 -39.54 91.74 Favored 'General case' 0 C--N 1.363 1.179 0 C-N-CA 130.513 3.525 . . . . 0.0 110.262 171.286 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.504 ' HD2' HE22 ' A' ' 103' ' ' GLN . 41.8 mtm180 -74.98 -47.41 29.45 Favored 'General case' 0 N--CA 1.44 -0.941 0 N-CA-C 116.785 2.143 . . . . 0.0 116.785 176.194 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.436 ' HB3' ' HB3' ' A' ' 103' ' ' GLN 0.322 10.3 ptt180 -72.97 -46.45 52.28 Favored 'General case' 0 CA--C 1.477 -1.847 0 N-CA-C 119.704 3.224 . . . . 0.0 119.704 172.085 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -83.59 -20.99 32.74 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 114.009 1.115 . . . . 0.0 114.009 -173.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -120.16 -40.06 2.75 Favored 'General case' 0 C--N 1.364 1.208 0 CA-C-O 118.148 -0.93 . . . . 0.0 113.234 -175.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.23 -118.23 4.65 Favored Glycine 0 C--N 1.39 3.569 0 CA-C-N 123.182 2.719 . . . . 0.0 110.595 -172.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.425 HG21 ' CD1' ' A' ' 92' ' ' TYR . 29.7 p -131.56 108.99 9.93 Favored 'General case' 0 C--N 1.351 0.641 0 N-CA-C 102.78 -3.045 . . . . 0.0 102.78 169.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -137.61 145.76 43.15 Favored 'General case' 0 CA--C 1.498 -1.022 0 C-N-CA 125.175 1.39 . . . . 0.0 108.34 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.33 108.37 8.06 Favored 'General case' 0 C--N 1.365 1.265 0 CA-C-O 123.353 1.549 . . . . 0.0 108.071 168.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.5 p -144.84 154.82 14.29 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.681 0 C-N-CA 125.285 1.434 . . . . 0.0 107.479 -168.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 62.2 t-80 -88.69 123.85 33.53 Favored 'General case' 0 C--N 1.358 0.965 0 C-N-CA 124.844 1.258 . . . . 0.0 110.944 -177.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.0 m-20 -52.64 -30.89 34.0 Favored 'General case' 0 C--N 1.365 1.258 0 N-CA-C 117.61 2.448 . . . . 0.0 117.61 -177.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -69.01 -28.16 66.33 Favored 'General case' 0 C--N 1.371 1.516 0 O-C-N 120.461 -1.4 . . . . 0.0 112.16 173.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.2 mt -72.13 -39.04 64.7 Favored 'Isoleucine or valine' 0 C--N 1.37 1.46 0 C-N-CA 126.636 1.975 . . . . 0.0 110.592 173.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.8 m -73.11 -41.16 59.02 Favored 'Isoleucine or valine' 0 C--N 1.363 1.192 0 C-N-CA 125.376 1.471 . . . . 0.0 111.249 177.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.408 ' O ' HG12 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -61.3 -50.72 71.85 Favored 'General case' 0 C--N 1.381 1.977 0 C-N-CA 129.156 2.982 . . . . 0.0 112.35 175.192 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -66.95 -26.77 66.99 Favored 'General case' 0 C--N 1.363 1.189 0 C-N-CA 128.616 2.767 . . . . 0.0 112.779 176.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -75.23 -48.85 21.48 Favored 'General case' 0 C--N 1.355 0.807 0 C-N-CA 125.004 1.322 . . . . 0.0 112.037 172.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -56.69 -52.42 65.01 Favored 'General case' 0 C--N 1.369 1.414 0 C-N-CA 130.796 3.638 . . . . 0.0 112.676 177.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.417 ' HB ' ' HD2' ' A' ' 55' ' ' HIS . 4.2 pt -72.02 -2.94 3.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 N-CA-C 120.951 3.686 . . . . 0.0 120.951 -178.481 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 96.1 p -71.82 -9.72 58.72 Favored 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 126.858 2.063 . . . . 0.0 113.544 175.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 45.5 m-70 -95.36 -153.34 0.39 Allowed 'General case' 0 CA--C 1.557 1.242 0 C-N-CA 131.248 3.819 . . . . 0.0 109.679 175.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.02 -43.14 93.41 Favored 'General case' 0 C--N 1.374 1.669 0 O-C-N 118.607 -2.558 . . . . 0.0 116.71 -178.44 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -62.36 11.5 0.02 OUTLIER 'General case' 0 CA--C 1.497 -1.094 1 C-N-CA 137.674 6.39 . . . . 0.0 120.952 -168.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.417 ' HD2' ' HB ' ' A' ' 50' ' ' ILE 0.332 38.2 t-80 -45.76 87.06 0.0 OUTLIER 'General case' 0 C--N 1.365 1.282 0 N-CA-C 118.517 2.784 . . . . 0.0 118.517 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 65.0 mt -119.35 143.58 30.28 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.048 1 C-N-CA 132.638 4.375 . . . . 0.0 104.67 178.013 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.482 ' CG ' HD21 ' A' ' 59' ' ' ASN . 2.5 t-160 -108.29 152.35 24.74 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 105.623 -1.991 . . . . 0.0 105.623 169.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.99 -25.05 7.52 Favored 'General case' 0 N--CA 1.495 1.793 0 C-N-CA 127.632 2.373 . . . . 0.0 116.961 -178.518 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.482 HD21 ' CG ' ' A' ' 57' ' ' HIS . 13.8 m-80 -73.35 -14.86 61.37 Favored 'General case' 0 CA--C 1.574 1.879 1 C-N-CA 132.772 4.429 . . . . 0.0 111.448 -177.175 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -80.51 -1.75 43.11 Favored 'General case' 0 C--N 1.386 2.191 0 C-N-CA 129.015 2.926 . . . . 0.0 115.309 172.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 7.4 p -101.58 175.87 5.42 Favored 'General case' 0 C--N 1.351 0.64 0 C-N-CA 128.806 2.842 . . . . 0.0 110.885 -177.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -87.29 0.04 56.0 Favored 'General case' 0 C--N 1.369 1.431 0 O-C-N 120.14 -1.6 . . . . 0.0 113.062 173.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 1.9 m-90 -91.52 105.79 18.01 Favored 'General case' 0 C--N 1.36 1.032 0 C-N-CA 127.674 2.389 . . . . 0.0 107.149 177.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -74.63 -11.5 60.21 Favored 'General case' 0 C--N 1.362 1.131 0 C-N-CA 126.929 2.092 . . . . 0.0 115.259 -177.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 33.9 p -141.01 160.35 40.28 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 103.11 -2.922 . . . . 0.0 103.11 -178.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.9 tp -71.33 -26.29 62.77 Favored 'General case' 0 C--N 1.37 1.479 0 O-C-N 119.913 -1.742 . . . . 0.0 111.532 176.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.497 HG21 ' CZ2' ' A' ' 88' ' ' TRP . 41.5 m -57.87 -42.95 85.61 Favored 'General case' 0 CA--C 1.49 -1.341 1 C-N-CA 134.02 4.928 . . . . 0.0 110.664 179.434 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.96 -26.87 62.44 Favored 'General case' 0 C--N 1.356 0.856 0 C-N-CA 127.045 2.138 . . . . 0.0 116.583 174.084 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -73.75 -37.09 65.17 Favored 'General case' 0 C--N 1.366 1.293 0 C-N-CA 126.767 2.027 . . . . 0.0 108.764 172.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.65 -36.29 70.66 Favored 'General case' 0 C--N 1.36 1.06 0 C-N-CA 126.489 1.916 . . . . 0.0 111.164 174.215 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.9 mmtt -63.33 -36.62 84.3 Favored 'General case' 0 C--N 1.378 1.831 0 N-CA-C 115.673 1.731 . . . . 0.0 115.673 169.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 91.6 t90 -81.09 -54.64 5.37 Favored 'General case' 0 C--N 1.364 1.239 0 C-N-CA 126.067 1.747 . . . . 0.0 114.121 178.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.403 ' HG ' ' SG ' ' A' ' 79' ' ' CYS . 0.6 OUTLIER -65.45 -35.16 80.1 Favored 'General case' 0 C--N 1.364 1.196 0 C-N-CA 128.329 2.652 . . . . 0.0 116.31 -179.63 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -62.44 -26.92 68.67 Favored Glycine 0 C--N 1.363 2.062 0 C-N-CA 128.781 3.086 . . . . 0.0 114.325 169.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 -83.17 -19.71 36.06 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 126.417 1.887 . . . . 0.0 116.013 -176.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -87.7 -17.63 31.33 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 124.994 1.318 . . . . 0.0 113.345 -174.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 93.0 25.58 19.33 Favored Glycine 0 C--N 1.367 2.291 0 CA-C-O 122.262 0.923 . . . . 0.0 110.796 -177.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.01 -35.82 6.24 Favored 'General case' 0 CA--C 1.481 -1.679 0 C-N-CA 124.197 0.999 . . . . 0.0 109.649 176.268 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 92' ' ' TYR . 34.8 m -131.34 153.11 49.96 Favored 'General case' 0 C--N 1.345 0.401 0 N-CA-C 116.405 2.002 . . . . 0.0 116.405 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.2 tptm -111.25 144.21 40.78 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 128.84 2.856 . . . . 0.0 105.795 172.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -135.46 145.85 30.98 Favored 'Isoleucine or valine' 0 C--N 1.351 0.65 0 O-C-N 118.735 -2.478 . . . . 0.0 112.669 -173.399 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -145.16 153.09 41.01 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 125.3 1.44 . . . . 0.0 110.421 174.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -122.42 138.84 54.41 Favored 'General case' 0 C--N 1.367 1.358 0 O-C-N 120.044 -1.66 . . . . 0.0 109.815 177.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 30.6 p -124.99 175.6 2.92 Favored Pre-proline 0 CA--C 1.496 -1.108 0 C-N-CA 128.284 2.634 . . . . 0.0 110.032 -176.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo -68.04 -4.25 12.18 Favored 'Trans proline' 0 N--CA 1.44 -1.619 0 N-CA-C 117.968 2.257 . . . . 0.0 117.968 165.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -117.73 18.73 14.06 Favored 'General case' 0 C--N 1.36 1.055 0 C-N-CA 126.069 1.748 . . . . 0.0 112.284 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 128.31 -161.01 22.13 Favored Glycine 0 C--N 1.365 2.164 0 N-CA-C 117.358 1.703 . . . . 0.0 117.358 177.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.497 ' CZ2' HG21 ' A' ' 67' ' ' THR . 12.1 m95 -109.74 115.92 30.74 Favored 'General case' 0 C--N 1.364 1.237 0 C-N-CA 127.838 2.455 . . . . 0.0 107.097 177.218 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -115.03 128.26 56.15 Favored 'General case' 0 CA--C 1.498 -1.053 0 C-N-CA 126.809 2.044 . . . . 0.0 106.217 -175.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.2 pt -114.75 140.53 35.35 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.998 0 C-N-CA 126.682 1.993 . . . . 0.0 107.376 178.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.52 117.52 30.59 Favored 'General case' 0 N--CA 1.437 -1.104 0 N-CA-C 100.98 -3.711 . . . . 0.0 100.98 170.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.428 ' HA ' ' HA ' ' A' ' 79' ' ' CYS 0.614 0.0 OUTLIER -77.23 149.67 35.46 Favored 'General case' 0 CA--C 1.554 1.112 0 O-C-N 119.701 -1.874 . . . . 0.0 112.278 -179.656 . . . . . . . . 4 4 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . 0.252 2.2 mm -85.73 123.16 39.24 Favored 'Isoleucine or valine' 0 C--N 1.351 0.648 0 C-N-CA 131.354 3.862 . . . . 0.0 107.02 -176.156 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . 0.356 11.6 p-10 -74.36 34.37 0.09 Allowed 'General case' 0 C--N 1.363 1.163 0 N-CA-C 119.554 3.168 . . . . 0.0 119.554 -172.286 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 12.8 mmm180 23.16 -101.37 0.01 OUTLIER 'General case' 0 C--N 1.361 1.071 1 C-N-CA 133.845 4.858 . . . . 0.0 115.689 176.343 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -103.03 113.73 65.69 Favored Pre-proline 0 CA--C 1.512 -0.519 0 CA-C-O 116.248 -1.834 . . . . 0.0 106.123 159.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_exo -64.51 -29.82 61.67 Favored 'Trans proline' 0 C--N 1.359 1.101 0 C-N-CA 125.175 3.916 . . . . 0.0 114.791 -172.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -63.79 -23.6 67.43 Favored 'General case' 0 C--N 1.357 0.919 0 C-N-CA 126.136 1.774 . . . . 0.0 111.22 170.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -76.64 -40.15 50.08 Favored 'General case' 0 C--N 1.366 1.313 0 O-C-N 119.896 -1.752 . . . . 0.0 111.157 169.436 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 34.0 mm -66.46 -49.64 73.69 Favored 'Isoleucine or valine' 0 C--N 1.367 1.345 0 C-N-CA 131.403 3.881 . . . . 0.0 110.516 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 64.0 mmt-85 -72.62 -29.85 63.82 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 127.705 2.402 . . . . 0.0 113.45 177.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -78.65 -29.14 45.62 Favored 'General case' 0 C--N 1.377 1.79 0 O-C-N 120.047 -1.658 . . . . 0.0 111.294 174.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.504 HE22 ' HD2' ' A' ' 32' ' ' ARG . 10.0 mt-30 -62.86 -59.38 4.93 Favored 'General case' 0 C--N 1.36 1.022 0 C-N-CA 127.175 2.19 . . . . 0.0 112.243 169.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . 0.29 0.1 OUTLIER -48.69 -58.22 5.09 Favored 'General case' 0 CA--C 1.536 0.414 1 C-N-CA 133.972 4.909 . . . . 0.0 116.621 173.014 . . . . . . . . 4 3 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 . . . . . 0 C--N 1.364 1.237 0 N-CA-C 118.916 2.932 . . . . 0.0 118.916 178.396 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.444 ' HE2' ' CZ2' ' A' ' 72' ' ' TRP . 1.6 tmt? . . . . . 0 CA--C 1.493 -1.24 0 CA-C-O 115.924 -1.989 . . . . 0.0 114.985 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.38 -22.07 61.19 Favored 'General case' 0 C--N 1.364 1.235 0 CA-C-N 123.628 2.922 . . . . 0.0 114.517 178.245 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -71.44 -54.01 12.07 Favored 'General case' 0 C--N 1.368 1.371 0 C-N-CA 124.805 1.242 . . . . 0.0 113.661 170.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -74.59 -37.68 62.84 Favored 'General case' 0 C--N 1.365 1.271 0 C-N-CA 126.673 1.989 . . . . 0.0 114.22 177.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . 0.467 1.5 m -72.61 -28.18 62.62 Favored 'General case' 0 CA--C 1.489 -1.381 0 C-N-CA 126.945 2.098 . . . . 0.0 114.648 177.404 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.444 ' O ' ' HB2' ' A' ' 25' ' ' ASN . 35.3 tt0 -68.93 -49.11 60.9 Favored 'General case' 0 C--N 1.37 1.463 0 CA-C-N 120.15 1.341 . . . . 0.0 110.471 170.043 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -66.7 -34.09 77.08 Favored 'General case' 0 C--N 1.368 1.409 0 C-N-CA 125.41 1.484 . . . . 0.0 114.984 176.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.408 ' CZ ' ' CE1' ' A' ' 46' ' ' TYR . 8.1 t80 -73.79 -53.44 10.27 Favored 'General case' 0 C--N 1.366 1.296 0 O-C-N 119.384 -2.072 . . . . 0.0 111.027 170.057 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.454 HH12 ' HD1' ' A' ' 27' ' ' PHE 0.406 0.1 OUTLIER -70.6 -36.55 73.58 Favored 'General case' 0 C--N 1.36 1.03 0 N-CA-C 118.327 2.714 . . . . 0.0 118.327 -176.564 . . . . . . . . 4 4 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.444 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 0.7 OUTLIER -66.04 -51.3 59.49 Favored 'General case' 0 C--N 1.366 1.309 0 O-C-N 119.843 -1.786 . . . . 0.0 114.811 177.35 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -73.5 -39.39 64.86 Favored 'General case' 0 C--N 1.35 0.605 0 C-N-CA 125.459 1.503 . . . . 0.0 112.164 175.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.454 ' HD1' HH12 ' A' ' 24' ' ' ARG . 25.6 t80 -67.99 -40.13 83.12 Favored 'General case' 0 C--N 1.375 1.682 0 CA-C-N 120.84 1.654 . . . . 0.0 113.248 175.681 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . 0.313 0.9 OUTLIER -65.26 -37.79 88.31 Favored 'General case' 0 C--N 1.38 1.924 0 CA-C-N 122.179 2.263 . . . . 0.0 112.703 172.749 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -60.19 -51.69 68.51 Favored 'General case' 0 C--N 1.38 1.907 0 CA-C-N 120.73 1.605 . . . . 0.0 113.707 168.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.4 tp -56.91 -43.13 81.09 Favored 'General case' 0 C--N 1.363 1.188 0 C-N-CA 129.167 2.987 . . . . 0.0 114.561 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.8 tt -64.32 -53.05 54.91 Favored 'General case' 0 C--N 1.369 1.417 0 C-N-CA 130.956 3.703 . . . . 0.0 110.557 175.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 84.1 mtm180 -63.63 -46.26 86.5 Favored 'General case' 0 C--N 1.363 1.154 0 N-CA-C 116.69 2.108 . . . . 0.0 116.69 174.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . 0.266 6.6 ptt-85 -71.98 -54.32 10.32 Favored 'General case' 0 C--N 1.371 1.51 0 N-CA-C 117.319 2.34 . . . . 0.0 117.319 172.355 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -83.05 -24.01 32.94 Favored 'General case' 0 C--N 1.355 0.808 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 -167.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -120.23 -35.33 3.47 Favored 'General case' 0 C--N 1.36 1.04 0 C-N-CA 124.648 1.179 . . . . 0.0 111.764 -175.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 75.66 -115.7 4.64 Favored Glycine 0 C--N 1.383 3.148 0 O-C-N 119.506 -1.996 . . . . 0.0 111.257 -168.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.0 p -124.18 107.84 11.66 Favored 'General case' 0 N--CA 1.437 -1.124 0 N-CA-C 102.544 -3.132 . . . . 0.0 102.544 172.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.0 ttmt -147.34 141.52 26.13 Favored 'General case' 0 CA--C 1.508 -0.659 0 C-N-CA 124.701 1.201 . . . . 0.0 108.925 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.53 108.29 4.25 Favored 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 126.234 1.814 . . . . 0.0 109.769 173.452 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.4 p -151.91 154.94 7.4 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.276 0 O-C-N 118.898 -2.376 . . . . 0.0 107.805 -170.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.431 ' HE1' ' HG ' ' A' ' 66' ' ' LEU 0.256 3.9 t-80 -79.83 125.48 29.75 Favored 'General case' 0 C--N 1.375 1.695 0 CA-C-O 124.408 2.051 . . . . 0.0 107.673 174.587 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -57.28 -22.55 42.37 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 112.756 -2.02 . . . . 0.0 113.763 177.056 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -75.14 -28.04 59.99 Favored 'General case' 0 C--N 1.368 1.389 0 O-C-N 120.441 -1.412 . . . . 0.0 111.862 176.003 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 66.3 mt -69.05 -46.3 78.71 Favored 'Isoleucine or valine' 0 C--N 1.367 1.339 0 C-N-CA 127.549 2.34 . . . . 0.0 109.07 173.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.1 m -68.83 -32.64 55.57 Favored 'Isoleucine or valine' 0 C--N 1.361 1.101 0 C-N-CA 127.215 2.206 . . . . 0.0 112.658 176.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.457 ' O ' HG12 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -62.79 -51.8 65.67 Favored 'General case' 0 C--N 1.383 2.032 0 C-N-CA 127.284 2.234 . . . . 0.0 110.457 177.315 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -60.78 -30.32 69.97 Favored 'General case' 0 C--N 1.363 1.183 0 C-N-CA 129.562 3.145 . . . . 0.0 114.463 176.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -74.78 -43.82 52.82 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.35 1.46 . . . . 0.0 112.749 173.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -66.86 -52.4 43.97 Favored 'General case' 0 C--N 1.362 1.123 0 C-N-CA 130.157 3.383 . . . . 0.0 112.512 177.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.494 ' HB ' ' HA ' ' A' ' 55' ' ' HIS . 9.2 pt -73.05 -10.03 13.56 Favored 'Isoleucine or valine' 0 C--N 1.359 1.019 0 N-CA-C 116.529 2.048 . . . . 0.0 116.529 -177.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.3 m -84.86 51.79 2.25 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 127.16 2.184 . . . . 0.0 109.641 174.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 30.1 m-70 -150.54 -150.74 0.36 Allowed 'General case' 0 C--N 1.349 0.562 0 N-CA-C 101.55 -3.5 . . . . 0.0 101.55 -175.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.81 -39.98 69.48 Favored 'General case' 0 C--N 1.367 1.335 0 O-C-N 118.729 -2.482 . . . . 0.0 115.533 177.402 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -61.61 12.23 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.562 1 C-N-CA 133.783 4.833 . . . . 0.0 121.201 -173.253 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.494 ' HA ' ' HB ' ' A' ' 50' ' ' ILE 0.492 2.5 t-160 -41.9 68.13 0.0 OUTLIER 'General case' 0 C--N 1.369 1.454 1 N-CA-C 122.623 4.305 . . . . 0.0 122.623 -172.165 . . . . . . . . 4 3 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 25.4 mt -87.89 175.21 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.791 1 C-N-CA 134.2 5.0 . . . . 0.0 110.425 177.429 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 22.1 t-160 -133.97 156.51 48.03 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 127.596 2.358 . . . . 0.0 105.231 167.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.535 ' HB3' HD21 ' A' ' 59' ' ' ASN . 0.0 OUTLIER -59.84 -25.22 64.83 Favored 'General case' 0 C--N 1.361 1.074 0 C-N-CA 128.746 2.818 . . . . 0.0 115.446 177.001 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.535 HD21 ' HB3' ' A' ' 58' ' ' MET 0.252 1.0 OUTLIER -86.16 1.68 49.72 Favored 'General case' 0 CA--C 1.566 1.583 0 C-N-CA 127.236 2.214 . . . . 0.0 112.822 -179.542 . . . . . . . . 4 4 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -85.05 10.66 11.37 Favored 'General case' 0 C--N 1.389 2.305 0 C-N-CA 128.923 2.889 . . . . 0.0 112.809 169.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 10.4 p -115.66 175.3 5.59 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 127.879 2.471 . . . . 0.0 110.796 -176.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -85.08 2.41 43.51 Favored 'General case' 0 C--N 1.373 1.597 0 C-N-CA 126.951 2.1 . . . . 0.0 112.791 174.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.477 ' CD2' ' HB2' ' A' ' 69' ' ' PHE . 2.5 m-90 -99.73 107.38 19.45 Favored 'General case' 0 N--CA 1.438 -1.074 0 C-N-CA 130.09 3.356 . . . . 0.0 106.827 -178.283 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -65.05 -24.51 67.49 Favored 'General case' 0 C--N 1.367 1.368 0 C-N-CA 128.919 2.888 . . . . 0.0 115.299 -174.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.3 t -151.02 172.32 15.91 Favored 'General case' 0 N--CA 1.441 -0.896 0 N-CA-C 101.433 -3.543 . . . . 0.0 101.433 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.431 ' HG ' ' HE1' ' A' ' 41' ' ' HIS . 6.0 tp -62.1 -26.14 68.12 Favored 'General case' 0 C--N 1.366 1.305 0 C-N-CA 127.726 2.411 . . . . 0.0 112.298 179.031 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.518 HG21 ' CZ2' ' A' ' 88' ' ' TRP . 5.9 m -56.7 -49.45 75.08 Favored 'General case' 0 C--N 1.361 1.066 0 C-N-CA 128.062 2.545 . . . . 0.0 115.888 -179.468 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.363 86.8 m-20 -73.02 -25.72 61.06 Favored 'General case' 0 C--N 1.355 0.832 0 N-CA-C 117.13 2.27 . . . . 0.0 117.13 177.646 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.477 ' HB2' ' CD2' ' A' ' 63' ' ' TRP . 3.4 t80 -73.45 -38.94 65.31 Favored 'General case' 0 C--N 1.35 0.604 0 C-N-CA 127.09 2.156 . . . . 0.0 110.612 172.111 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.519 HG23 ' CE3' ' A' ' 88' ' ' TRP . 0.5 OUTLIER -69.87 -34.39 73.51 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 129.167 2.987 . . . . 0.0 110.557 175.583 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 45.1 mmtt -63.29 -46.51 86.44 Favored 'General case' 0 C--N 1.383 2.026 0 C-N-CA 124.519 1.128 . . . . 0.0 113.054 169.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . 0.444 ' CZ2' ' HE2' ' A' ' 16' ' ' MET . 79.1 t90 -69.9 -53.87 16.0 Favored 'General case' 0 C--N 1.375 1.697 0 C-N-CA 126.682 1.993 . . . . 0.0 114.645 177.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.0 -35.96 82.87 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 129.269 3.027 . . . . 0.0 115.077 -179.564 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -63.84 -27.4 71.13 Favored Glycine 0 C--N 1.363 2.069 0 C-N-CA 128.562 2.982 . . . . 0.0 113.92 168.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 28.2 ttt-85 -79.09 -21.58 46.5 Favored 'General case' 0 C--N 1.36 1.053 0 N-CA-C 114.371 1.248 . . . . 0.0 114.371 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -85.14 -20.19 30.65 Favored 'General case' 0 C--N 1.357 0.904 0 N-CA-C 115.122 1.527 . . . . 0.0 115.122 -171.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 96.39 19.21 28.51 Favored Glycine 0 C--N 1.363 2.063 0 N-CA-C 111.288 -0.725 . . . . 0.0 111.288 -177.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.9 mt -100.49 -42.21 6.67 Favored 'General case' 0 CA--C 1.476 -1.869 0 C-N-CA 124.627 1.171 . . . . 0.0 110.716 179.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 4.9 m -132.84 153.16 51.56 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-O 122.756 1.265 . . . . 0.0 114.354 -176.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.44 ' HZ3' HG12 ' A' ' 93' ' ' ILE . 0.1 OUTLIER -107.74 143.16 36.66 Favored 'General case' 0 C--O 1.218 -0.588 0 C-N-CA 128.277 2.631 . . . . 0.0 106.921 175.611 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -132.08 143.85 38.87 Favored 'Isoleucine or valine' 0 C--N 1.349 0.547 0 O-C-N 118.359 -2.713 . . . . 0.0 113.743 -171.457 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -140.97 154.56 46.1 Favored 'General case' 0 C--N 1.367 1.351 0 C-N-CA 127.088 2.155 . . . . 0.0 110.555 177.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -128.18 139.56 52.41 Favored 'General case' 0 C--N 1.373 1.598 0 O-C-N 120.581 -1.324 . . . . 0.0 111.372 175.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 62.3 p -122.92 174.77 3.14 Favored Pre-proline 0 C--N 1.359 1.018 0 C-N-CA 130.394 3.478 . . . . 0.0 110.331 -177.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -68.58 -1.57 7.73 Favored 'Trans proline' 0 N--CA 1.444 -1.414 0 N-CA-C 118.118 2.315 . . . . 0.0 118.118 165.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -113.99 -3.62 13.32 Favored 'General case' 0 C--N 1.36 1.031 0 CA-C-N 120.363 1.438 . . . . 0.0 112.007 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 141.01 -167.83 25.53 Favored Glycine 0 C--N 1.364 2.088 0 O-C-N 120.637 -1.289 . . . . 0.0 114.637 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.519 ' CE3' HG23 ' A' ' 70' ' ' THR . 68.4 m95 -94.06 126.12 39.1 Favored 'General case' 0 C--N 1.367 1.366 0 C-N-CA 126.725 2.01 . . . . 0.0 109.905 175.447 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -114.16 126.17 54.77 Favored 'General case' 0 CA--C 1.497 -1.064 0 N-CA-C 103.276 -2.861 . . . . 0.0 103.276 -179.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.7 pt -114.41 137.23 48.44 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.116 0 N-CA-C 104.933 -2.247 . . . . 0.0 104.933 178.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -116.04 122.8 46.27 Favored 'General case' 0 CA--C 1.484 -1.563 0 N-CA-C 103.166 -2.902 . . . . 0.0 103.166 169.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . 0.389 5.8 t80 -73.49 147.04 44.45 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.398 1.479 . . . . 0.0 111.22 178.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.44 HG12 ' HZ3' ' A' ' 80' ' ' LYS . 2.8 mt -89.49 120.44 38.23 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.897 1 C-N-CA 133.344 4.658 . . . . 0.0 105.554 -179.852 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . 0.345 13.6 p30 -79.89 91.33 5.38 Favored 'General case' 0 C--N 1.366 1.293 0 CA-C-N 121.009 1.731 . . . . 0.0 111.641 179.519 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.471 ' HE ' ' HA ' ' A' ' 95' ' ' ARG . 1.4 mmp_? -40.12 -85.82 0.0 OUTLIER 'General case' 0 C--N 1.356 0.854 1 C-N-CA 132.672 4.389 . . . . 0.0 114.517 176.706 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -102.75 103.92 35.8 Favored Pre-proline 0 CA--C 1.536 0.439 0 CA-C-O 113.523 -3.132 . . . . 0.0 105.656 160.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -56.12 -25.08 53.0 Favored 'Trans proline' 0 C--N 1.371 1.711 2 C-N-CA 127.121 5.214 . . . . 0.0 117.02 -177.352 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -61.21 -35.27 76.75 Favored 'General case' 0 C--N 1.368 1.385 0 C-N-CA 127.644 2.378 . . . . 0.0 110.008 167.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . 0.268 0.4 OUTLIER -67.76 -41.79 82.78 Favored 'General case' 0 C--N 1.367 1.35 0 O-C-N 119.477 -2.014 . . . . 0.0 112.303 170.914 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.8 mp -65.85 -50.05 72.98 Favored 'Isoleucine or valine' 0 C--N 1.37 1.465 0 CA-C-N 121.805 2.093 . . . . 0.0 111.677 174.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 75.0 mtp180 -69.07 -27.79 65.94 Favored 'General case' 0 C--N 1.365 1.258 0 O-C-N 120.029 -1.67 . . . . 0.0 114.225 177.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 55.8 mtm180 -77.87 -38.18 46.54 Favored 'General case' 0 C--N 1.371 1.537 0 C-N-CA 124.668 1.187 . . . . 0.0 110.57 171.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . 0.357 35.7 mt-30 -61.62 -34.42 75.62 Favored 'General case' 0 C--N 1.375 1.698 0 C-N-CA 125.907 1.683 . . . . 0.0 115.037 175.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.55 -57.41 3.36 Favored 'General case' 0 C--N 1.357 0.915 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 173.493 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 . . . . . 0 C--N 1.365 1.273 0 N-CA-C 119.898 3.295 . . . . 0.0 119.898 -169.348 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.472 0.635 0 N-CA-C 115.481 1.66 . . . . 0.0 115.481 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -57.02 -54.69 43.89 Favored 'General case' 0 C--N 1.363 1.185 0 C-N-CA 126.166 1.786 . . . . 0.0 114.043 176.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -70.33 -51.82 27.25 Favored 'General case' 0 C--N 1.36 1.032 0 C-N-CA 124.833 1.253 . . . . 0.0 114.346 172.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.266 20.4 m-85 -73.15 -36.13 66.59 Favored 'General case' 0 C--N 1.367 1.36 0 N-CA-C 115.433 1.642 . . . . 0.0 115.433 -175.612 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . 0.277 60.4 p -71.94 -31.8 66.7 Favored 'General case' 0 C--N 1.37 1.465 0 O-C-N 119.693 -1.879 . . . . 0.0 113.489 173.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -70.55 -48.78 53.74 Favored 'General case' 0 C--N 1.369 1.415 0 C-N-CA 124.916 1.287 . . . . 0.0 112.891 170.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -63.72 -44.79 92.55 Favored 'General case' 0 C--N 1.373 1.627 0 C-N-CA 125.375 1.47 . . . . 0.0 114.057 176.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.435 ' CE1' ' CE2' ' A' ' 46' ' ' TYR . 9.0 t80 -65.33 -52.5 53.52 Favored 'General case' 0 C--N 1.377 1.765 0 C-N-CA 126.305 1.842 . . . . 0.0 111.441 173.274 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 55.7 ttp85 -68.13 -28.51 67.38 Favored 'General case' 0 C--N 1.365 1.254 0 CA-C-N 121.703 2.047 . . . . 0.0 115.462 178.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -70.64 -51.62 26.74 Favored 'General case' 0 C--N 1.367 1.341 0 O-C-N 120.126 -1.609 . . . . 0.0 113.485 173.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -76.22 -31.92 58.65 Favored 'General case' 0 C--N 1.368 1.394 0 CA-C-N 119.943 1.247 . . . . 0.0 113.137 178.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.438 ' CE2' HG23 ' A' ' 45' ' ' VAL . 72.1 t80 -71.55 -39.66 70.53 Favored 'General case' 0 C--N 1.361 1.099 0 C-N-CA 125.709 1.604 . . . . 0.0 112.452 175.232 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.63 -46.21 73.16 Favored 'General case' 0 C--N 1.387 2.198 0 CA-C-N 121.721 2.055 . . . . 0.0 109.454 178.006 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -54.78 -50.86 67.45 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 128.11 2.564 . . . . 0.0 115.313 174.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . 0.456 0.0 OUTLIER -75.18 -34.24 61.53 Favored 'General case' 0 C--N 1.374 1.634 0 C-N-CA 126.236 1.815 . . . . 0.0 115.473 175.533 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.6 -53.21 60.26 Favored 'General case' 0 C--N 1.376 1.746 0 C-N-CA 129.61 3.164 . . . . 0.0 110.701 170.301 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 71.9 mtm180 -62.56 -39.45 93.69 Favored 'General case' 0 C--N 1.358 0.952 0 C-N-CA 128.046 2.539 . . . . 0.0 116.696 174.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . 0.292 9.8 ptt-85 -72.26 -53.44 12.5 Favored 'General case' 0 C--N 1.375 1.692 0 CA-C-N 123.161 2.71 . . . . 0.0 117.833 164.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.4 mmt85 -82.3 -30.56 30.48 Favored 'General case' 0 C--N 1.356 0.869 0 O-C-N 120.774 -1.204 . . . . 0.0 114.126 -165.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -113.82 -32.99 5.93 Favored 'General case' 0 C--N 1.357 0.893 0 C-N-CA 125.989 1.716 . . . . 0.0 110.461 -176.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 77.99 -112.54 3.51 Favored Glycine 0 C--N 1.386 3.349 0 O-C-N 119.443 -2.036 . . . . 0.0 111.347 -169.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.47 HG23 ' CD1' ' A' ' 92' ' ' TYR . 5.0 p -127.28 107.95 10.44 Favored 'General case' 0 N--CA 1.437 -1.095 1 N-CA-C 99.856 -4.128 . . . . 0.0 99.856 168.916 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.3 ttmt -147.67 148.2 30.79 Favored 'General case' 0 CA--C 1.497 -1.059 0 C-N-CA 125.104 1.362 . . . . 0.0 107.745 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.31 108.35 4.73 Favored 'General case' 0 C--N 1.363 1.174 0 O-C-N 120.437 -1.415 . . . . 0.0 109.342 170.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.3 p -137.89 155.6 30.42 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.613 0 N-CA-C 103.866 -2.642 . . . . 0.0 103.866 -174.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.419 ' CD2' ' O ' ' A' ' 88' ' ' TRP . 63.8 t-80 -86.14 121.31 28.56 Favored 'General case' 0 C--N 1.353 0.748 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 175.419 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -55.96 -28.11 55.58 Favored 'General case' 0 C--N 1.361 1.082 0 N-CA-C 116.178 1.918 . . . . 0.0 116.178 -173.69 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.385 5.2 t-20 -72.47 -27.67 62.44 Favored 'General case' 0 C--N 1.366 1.284 0 O-C-N 120.591 -1.318 . . . . 0.0 112.537 171.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.9 mt -65.92 -42.98 93.03 Favored 'Isoleucine or valine' 0 C--N 1.366 1.321 0 C-N-CA 127.011 2.124 . . . . 0.0 111.255 170.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.438 HG23 ' CE2' ' A' ' 27' ' ' PHE 0.531 0.9 OUTLIER -74.46 -29.48 24.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 124.543 1.137 . . . . 0.0 112.906 175.835 . . . . . . . . 4 4 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.435 ' CE2' ' CE1' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -65.06 -54.42 30.46 Favored 'General case' 0 C--N 1.382 1.992 0 C-N-CA 127.18 2.192 . . . . 0.0 107.412 169.206 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -59.1 -27.55 65.68 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 117.635 2.457 . . . . 0.0 117.635 175.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -71.77 -40.25 69.4 Favored 'General case' 0 C--N 1.364 1.228 0 C-N-CA 126.27 1.828 . . . . 0.0 112.33 171.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . 0.328 0.2 OUTLIER -69.89 -37.97 76.18 Favored 'General case' 0 CA--C 1.55 0.977 1 C-N-CA 131.776 4.03 . . . . 0.0 113.834 172.481 . . . . . . . . 4 3 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.601 HG21 ' CD2' ' A' ' 55' ' ' HIS . 0.1 OUTLIER -58.75 -39.11 75.81 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.524 1 C-N-CA 131.788 4.035 . . . . 0.0 114.986 -173.007 . . . . . . . . 4 4 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 33.9 m -91.2 73.01 6.26 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 121.474 0.654 . . . . 0.0 112.52 175.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 40.8 m-70 -159.65 -158.78 0.68 Allowed 'General case' 0 C--N 1.361 1.076 0 C-N-CA 126.819 2.047 . . . . 0.0 107.012 -178.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.17 -24.83 60.6 Favored 'General case' 0 C--N 1.371 1.533 0 C-N-CA 128.082 2.553 . . . . 0.0 116.496 178.05 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -92.16 11.27 26.11 Favored 'General case' 0 N--CA 1.439 -0.996 1 C-N-CA 133.939 4.895 . . . . 0.0 117.839 -168.474 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.601 ' CD2' HG21 ' A' ' 50' ' ' ILE 0.273 10.8 t-80 -52.17 85.27 0.0 OUTLIER 'General case' 0 C--N 1.364 1.226 0 N-CA-C 119.176 3.028 . . . . 0.0 119.176 -175.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 83.1 mt -114.36 130.66 68.27 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.222 1 C-N-CA 131.714 4.006 . . . . 0.0 103.502 176.269 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -110.68 165.87 11.48 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 103.135 -2.913 . . . . 0.0 103.135 169.624 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 42.3 tpp -51.37 -16.21 0.52 Allowed 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 129.612 3.165 . . . . 0.0 117.564 -175.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . 0.271 10.6 m-80 -78.4 -21.85 48.69 Favored 'General case' 0 N--CA 1.415 -2.216 1 C-N-CA 133.672 4.789 . . . . 0.0 112.98 -175.93 . . . . . . . . 3 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -92.19 31.29 1.3 Allowed 'General case' 0 C--N 1.37 1.476 0 C-N-CA 128.301 2.64 . . . . 0.0 116.089 179.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . 0.354 3.5 t -160.9 -174.8 4.58 Favored 'General case' 0 C--N 1.362 1.118 0 O-C-N 120.667 -1.271 . . . . 0.0 112.42 -170.688 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -93.57 7.07 46.1 Favored 'General case' 0 C--N 1.369 1.434 0 C-N-CA 131.198 3.799 . . . . 0.0 114.711 -172.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.416 ' CD2' ' HB2' ' A' ' 69' ' ' PHE . 0.9 OUTLIER -109.17 152.65 24.85 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 128.604 2.761 . . . . 0.0 105.099 177.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -117.98 -56.73 2.16 Favored 'General case' 0 C--N 1.358 0.941 0 CA-C-N 120.697 1.59 . . . . 0.0 114.284 -175.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 70.1 p -87.6 -64.84 1.09 Allowed 'General case' 0 C--N 1.356 0.852 0 C-N-CA 126.067 1.747 . . . . 0.0 114.112 -171.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . 0.25 1.9 tp 173.97 -34.91 0.0 OUTLIER 'General case' 0 CA--C 1.506 -0.728 0 C-N-CA 130.441 3.496 . . . . 0.0 102.37 174.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.506 HG21 ' CZ2' ' A' ' 88' ' ' TRP . 13.5 m -56.42 -44.4 80.32 Favored 'General case' 0 CA--C 1.484 -1.566 1 C-N-CA 133.07 4.548 . . . . 0.0 113.501 -173.783 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.4 -28.89 63.27 Favored 'General case' 0 C--N 1.344 0.352 0 N-CA-C 116.436 2.013 . . . . 0.0 116.436 175.322 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.416 ' HB2' ' CD2' ' A' ' 63' ' ' TRP . 20.2 t80 -76.18 -32.85 59.23 Favored 'General case' 0 C--N 1.364 1.236 0 C-N-CA 125.595 1.558 . . . . 0.0 109.961 171.639 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . 0.309 0.6 OUTLIER -72.23 -36.21 69.07 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 126.398 1.879 . . . . 0.0 111.066 174.867 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 25.1 mmtt -62.27 -39.09 91.76 Favored 'General case' 0 C--N 1.377 1.798 0 N-CA-C 115.45 1.648 . . . . 0.0 115.45 166.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 91.5 t90 -80.57 -55.0 5.16 Favored 'General case' 0 C--N 1.362 1.142 0 C-N-CA 126.02 1.728 . . . . 0.0 113.89 -179.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.421 ' HG ' ' HG ' ' A' ' 79' ' ' CYS . 0.3 OUTLIER -65.62 -35.28 80.35 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 128.403 2.681 . . . . 0.0 116.221 177.913 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -62.04 -27.21 68.46 Favored Glycine 0 C--N 1.359 1.844 0 C-N-CA 128.067 2.746 . . . . 0.0 114.795 166.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 31.2 ttp180 -73.99 -27.63 61.07 Favored 'General case' 0 C--N 1.361 1.097 0 N-CA-C 114.948 1.462 . . . . 0.0 114.948 179.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -82.79 -20.71 35.26 Favored 'General case' 0 C--N 1.356 0.85 0 N-CA-C 116.915 2.191 . . . . 0.0 116.915 -169.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.59 20.86 15.9 Favored Glycine 0 C--N 1.363 2.037 0 O-C-N 121.185 -0.947 . . . . 0.0 111.36 -177.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.92 -43.1 4.95 Favored 'General case' 0 CA--C 1.468 -2.182 0 C-N-CA 123.868 0.867 . . . . 0.0 110.55 177.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.421 ' HG ' ' HG ' ' A' ' 73' ' ' LEU . 13.1 m -128.53 147.37 50.69 Favored 'General case' 0 C--O 1.224 -0.271 0 N-CA-C 116.296 1.961 . . . . 0.0 116.296 -176.39 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -103.18 143.39 32.69 Favored 'General case' 0 C--N 1.359 0.98 0 C-N-CA 127.641 2.376 . . . . 0.0 107.754 172.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -131.28 142.16 44.1 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 O-C-N 119.084 -2.26 . . . . 0.0 112.943 -172.36 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -143.26 151.35 40.46 Favored 'General case' 0 C--N 1.364 1.206 0 C-N-CA 124.958 1.303 . . . . 0.0 110.132 174.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -122.96 139.49 54.01 Favored 'General case' 0 C--N 1.367 1.361 0 O-C-N 120.135 -1.603 . . . . 0.0 110.529 178.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 43.5 p -123.26 174.96 3.04 Favored Pre-proline 0 C--N 1.359 1.006 0 C-N-CA 129.262 3.025 . . . . 0.0 109.907 -177.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -68.94 -1.62 8.12 Favored 'Trans proline' 0 N--CA 1.442 -1.537 0 N-CA-C 118.176 2.337 . . . . 0.0 118.176 166.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 29.4 ttpt -112.78 -5.9 13.87 Favored 'General case' 0 C--N 1.361 1.092 0 CA-C-N 120.189 1.359 . . . . 0.0 112.464 -179.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 149.74 -164.35 29.49 Favored Glycine 0 C--N 1.362 2.012 0 O-C-N 120.635 -1.291 . . . . 0.0 115.126 -178.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.506 ' CZ2' HG21 ' A' ' 67' ' ' THR . 15.2 m95 -101.87 119.4 38.72 Favored 'General case' 0 C--N 1.364 1.236 0 C-N-CA 127.949 2.5 . . . . 0.0 107.52 175.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -114.54 125.8 54.2 Favored 'General case' 0 CA--C 1.501 -0.927 0 N-CA-C 105.471 -2.048 . . . . 0.0 105.471 -178.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -116.2 137.56 49.56 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.935 0 C-N-CA 127.178 2.191 . . . . 0.0 105.907 178.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -122.42 124.98 44.89 Favored 'General case' 0 N--CA 1.429 -1.522 0 N-CA-C 103.054 -2.943 . . . . 0.0 103.054 172.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.47 ' CD1' HG23 ' A' ' 37' ' ' THR 0.511 0.4 OUTLIER -74.23 147.24 42.65 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 125.667 1.587 . . . . 0.0 112.701 -179.781 . . . . . . . . 4 4 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 5.4 mt -86.81 119.99 35.58 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.95 1 C-N-CA 133.683 4.793 . . . . 0.0 105.458 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . 0.284 14.0 p30 -76.68 84.88 3.32 Favored 'General case' 0 C--N 1.36 1.036 0 O-C-N 119.872 -1.767 . . . . 0.0 113.85 -178.546 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 -37.82 -86.47 0.0 OUTLIER 'General case' 0 C--N 1.367 1.333 0 C-N-CA 131.526 3.93 . . . . 0.0 115.251 177.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -103.03 106.78 52.56 Favored Pre-proline 0 CA--C 1.533 0.302 0 CA-C-O 112.9 -3.428 . . . . 0.0 105.907 158.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -53.86 -25.92 37.33 Favored 'Trans proline' 0 C--N 1.374 1.905 2 C-N-CA 127.563 5.509 . . . . 0.0 116.838 -178.124 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -54.67 -43.69 72.64 Favored 'General case' 0 C--N 1.362 1.147 0 C-N-CA 129.223 3.009 . . . . 0.0 110.598 166.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -57.99 -44.52 87.22 Favored 'General case' 0 C--N 1.37 1.459 0 O-C-N 119.726 -1.859 . . . . 0.0 113.74 175.16 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.7 mp -68.37 -50.13 59.89 Favored 'Isoleucine or valine' 0 C--N 1.361 1.071 0 C-N-CA 128.981 2.912 . . . . 0.0 111.96 174.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -63.87 -35.97 82.41 Favored 'General case' 0 C--N 1.367 1.339 0 O-C-N 120.01 -1.681 . . . . 0.0 113.656 176.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 11.6 mmp_? -73.15 -40.02 65.22 Favored 'General case' 0 C--N 1.367 1.342 0 C-N-CA 125.122 1.369 . . . . 0.0 110.355 170.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . 0.389 28.1 mt-30 -62.28 -35.78 80.06 Favored 'General case' 0 C--N 1.372 1.572 0 N-CA-C 116.228 1.936 . . . . 0.0 116.228 174.243 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.61 -53.01 6.6 Favored 'General case' 0 C--N 1.356 0.85 0 O-C-N 120.511 -1.368 . . . . 0.0 112.241 175.606 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 . . . . . 0 C--N 1.36 1.062 0 N-CA-C 117.819 2.526 . . . . 0.0 117.819 -172.435 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 12.4 tpt . . . . . 0 N--CA 1.48 1.032 0 N-CA-C 116.503 2.038 . . . . 0.0 116.503 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -58.93 -36.07 74.15 Favored 'General case' 0 C--N 1.362 1.144 0 C-N-CA 126.875 2.07 . . . . 0.0 115.01 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -70.07 -52.08 26.77 Favored 'General case' 0 C--N 1.36 1.058 0 C-N-CA 126.563 1.945 . . . . 0.0 113.644 175.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -73.83 -40.52 63.28 Favored 'General case' 0 C--N 1.355 0.847 0 C-N-CA 127.978 2.511 . . . . 0.0 114.112 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . 0.352 79.5 p -72.55 -30.78 64.72 Favored 'General case' 0 C--N 1.37 1.492 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 177.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -70.46 -41.93 72.14 Favored 'General case' 0 C--N 1.366 1.302 0 CA-C-N 120.67 1.577 . . . . 0.0 113.752 170.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -67.9 -45.84 73.3 Favored 'General case' 0 C--N 1.365 1.275 0 CA-C-N 121.482 1.947 . . . . 0.0 113.394 174.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.462 ' CZ ' ' CE2' ' A' ' 46' ' ' TYR . 14.0 t80 -63.91 -52.1 61.45 Favored 'General case' 0 C--N 1.371 1.519 0 C-N-CA 124.814 1.246 . . . . 0.0 112.349 173.63 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.344 0.0 OUTLIER -69.89 -28.97 66.07 Favored 'General case' 0 C--N 1.363 1.153 0 CA-C-N 121.094 1.77 . . . . 0.0 115.6 175.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -67.3 -52.41 40.92 Favored 'General case' 0 C--N 1.375 1.694 0 O-C-N 119.011 -2.306 . . . . 0.0 112.579 171.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -76.23 -50.92 13.18 Favored 'General case' 0 C--N 1.36 1.033 0 N-CA-C 115.567 1.691 . . . . 0.0 115.567 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -62.15 -46.07 90.6 Favored 'General case' 0 C--N 1.369 1.45 0 C-N-CA 126.839 2.055 . . . . 0.0 112.878 176.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . 0.346 0.0 OUTLIER -67.85 -32.73 73.46 Favored 'General case' 0 C--N 1.371 1.53 0 CA-C-N 119.457 1.026 . . . . 0.0 112.4 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -65.55 -48.63 71.79 Favored 'General case' 0 C--N 1.385 2.118 0 C-N-CA 125.535 1.534 . . . . 0.0 115.072 168.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 tt -65.34 -34.78 79.14 Favored 'General case' 0 C--N 1.358 0.937 0 C-N-CA 128.918 2.887 . . . . 0.0 113.319 178.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 tt -64.14 -51.91 61.61 Favored 'General case' 0 C--N 1.365 1.252 0 C-N-CA 130.219 3.408 . . . . 0.0 109.41 169.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 33.7 mtm180 -59.31 -46.11 89.46 Favored 'General case' 0 C--N 1.369 1.443 0 C-N-CA 127.09 2.156 . . . . 0.0 116.493 173.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . 0.415 0.8 OUTLIER -73.1 -53.2 11.65 Favored 'General case' 0 C--N 1.365 1.279 0 N-CA-C 121.781 3.993 . . . . 0.0 121.781 169.531 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.4 mtt180 -82.91 -35.07 26.42 Favored 'General case' 0 C--N 1.349 0.563 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 -171.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -107.51 -37.47 6.19 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 125.548 1.539 . . . . 0.0 110.69 -176.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 78.05 -104.35 2.0 Favored Glycine 0 C--N 1.38 3.008 0 CA-C-O 124.293 2.051 . . . . 0.0 110.618 -169.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.7 p -134.85 108.15 7.77 Favored 'General case' 0 N--CA 1.437 -1.09 0 N-CA-C 103.485 -2.783 . . . . 0.0 103.485 171.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -147.42 152.11 37.58 Favored 'General case' 0 CA--C 1.51 -0.591 0 C-N-CA 125.525 1.53 . . . . 0.0 107.815 178.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.12 108.37 11.37 Favored 'General case' 0 C--N 1.363 1.175 0 C-N-CA 125.445 1.498 . . . . 0.0 110.298 172.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.7 p -149.26 152.61 11.82 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.246 0 N-CA-C 105.32 -2.104 . . . . 0.0 105.32 -173.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.451 ' HE1' ' HG ' ' A' ' 66' ' ' LEU . 0.8 OUTLIER -84.0 138.0 33.33 Favored 'General case' 0 C--N 1.367 1.361 0 CA-C-O 123.308 1.528 . . . . 0.0 109.02 177.901 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.441 ' HB2' HD23 ' A' ' 66' ' ' LEU . 0.9 OUTLIER -57.21 -29.49 63.77 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 115.447 1.647 . . . . 0.0 115.447 -179.389 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -67.24 -27.76 67.49 Favored 'General case' 0 C--N 1.367 1.351 0 C-N-CA 128.352 2.661 . . . . 0.0 111.953 176.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.8 mt -75.88 -41.76 39.48 Favored 'Isoleucine or valine' 0 C--N 1.366 1.313 0 C-N-CA 125.967 1.707 . . . . 0.0 110.189 170.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.4 m -73.17 -38.64 55.19 Favored 'Isoleucine or valine' 0 C--N 1.37 1.492 0 C-N-CA 124.771 1.228 . . . . 0.0 113.018 179.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.462 ' CE2' ' CZ ' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -60.02 -51.34 70.05 Favored 'General case' 0 C--N 1.385 2.143 0 C-N-CA 129.305 3.042 . . . . 0.0 110.849 176.329 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -63.1 -26.41 68.82 Favored 'General case' 0 C--N 1.363 1.181 0 C-N-CA 130.005 3.322 . . . . 0.0 113.851 174.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -78.3 -42.07 31.91 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 125.19 1.396 . . . . 0.0 112.119 173.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.419 ' CE1' ' CG2' ' A' ' 50' ' ' ILE 0.266 0.4 OUTLIER -64.84 -48.13 75.45 Favored 'General case' 0 C--N 1.358 0.97 0 C-N-CA 130.671 3.588 . . . . 0.0 113.205 177.663 . . . . . . . . 4 4 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.443 ' CD1' ' CE1' ' A' ' 57' ' ' HIS . 8.9 pt -80.42 -1.35 4.68 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.773 1 N-CA-C 121.919 4.044 . . . . 0.0 121.919 -175.087 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.5 t -79.86 0.9 29.13 Favored 'General case' 0 CA--C 1.554 1.124 0 C-N-CA 124.027 0.931 . . . . 0.0 112.74 174.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -94.91 -164.97 1.23 Allowed 'General case' 0 CA--C 1.554 1.127 1 C-N-CA 132.282 4.233 . . . . 0.0 106.717 172.168 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.8 -39.75 86.03 Favored 'General case' 0 C--N 1.371 1.515 0 N-CA-C 118.308 2.707 . . . . 0.0 118.308 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -64.0 11.67 0.04 OUTLIER 'General case' 0 CA--C 1.497 -1.074 1 C-N-CA 135.851 5.66 . . . . 0.0 121.58 -169.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.408 ' HD2' ' HB ' ' A' ' 50' ' ' ILE 0.309 32.1 t-80 -46.43 98.87 0.02 OUTLIER 'General case' 0 C--N 1.367 1.358 0 N-CA-C 117.291 2.33 . . . . 0.0 117.291 179.451 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.431 ' O ' HG23 ' A' ' 50' ' ' ILE . 30.9 mt -130.75 157.58 43.08 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.269 2 C-N-CA 133.786 4.835 . . . . 0.0 99.897 -179.349 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.443 ' CE1' ' CD1' ' A' ' 50' ' ' ILE . 0.1 OUTLIER -134.09 156.85 47.53 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 102.716 -3.068 . . . . 0.0 102.716 166.121 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.51 -13.01 0.19 Allowed 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 130.104 3.362 . . . . 0.0 119.61 -172.416 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.429 HD21 ' HB3' ' A' ' 57' ' ' HIS 0.268 21.9 m-80 -81.1 -25.78 36.73 Favored 'General case' 0 N--CA 1.427 -1.588 1 C-N-CA 134.588 5.155 . . . . 0.0 109.149 -177.955 . . . . . . . . 4 3 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -84.92 51.19 2.09 Favored 'General case' 0 C--N 1.382 2.004 0 C-N-CA 127.437 2.295 . . . . 0.0 111.987 168.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 14.3 p -145.85 -169.62 3.28 Favored 'General case' 0 C--N 1.354 0.785 0 O-C-N 120.724 -1.235 . . . . 0.0 109.652 -173.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 24.9 pt20 -97.58 1.16 48.53 Favored 'General case' 0 C--N 1.371 1.524 0 C-N-CA 125.79 1.636 . . . . 0.0 110.908 171.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 1.9 m-90 -103.25 110.51 22.52 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 127.956 2.502 . . . . 0.0 108.491 -173.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -73.28 -12.4 60.84 Favored 'General case' 0 C--N 1.367 1.361 0 C-N-CA 126.474 1.91 . . . . 0.0 115.592 -175.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 t -160.6 158.19 28.56 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 102.037 -3.32 . . . . 0.0 102.037 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.451 ' HG ' ' HE1' ' A' ' 41' ' ' HIS . 8.7 tp -56.18 -30.74 62.65 Favored 'General case' 0 C--N 1.369 1.454 0 C-N-CA 130.68 3.592 . . . . 0.0 115.583 -173.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.603 ' CG2' ' HZ3' ' A' ' 71' ' ' LYS . 93.3 m -58.75 -40.66 84.52 Favored 'General case' 0 C--N 1.347 0.486 1 C-N-CA 131.728 4.011 . . . . 0.0 114.452 174.759 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -72.87 -27.7 62.07 Favored 'General case' 0 C--N 1.362 1.117 0 C-N-CA 126.434 1.894 . . . . 0.0 115.439 176.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -72.79 -38.21 67.31 Favored 'General case' 0 C--N 1.359 0.99 0 C-N-CA 128.412 2.685 . . . . 0.0 109.517 173.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.445 ' HB ' ' CZ3' ' A' ' 88' ' ' TRP 0.319 0.6 OUTLIER -72.17 -34.32 68.36 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 126.488 1.915 . . . . 0.0 113.028 176.825 . . . . . . . . 4 4 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.603 ' HZ3' ' CG2' ' A' ' 67' ' ' THR . 16.2 mmtm -62.88 -41.15 99.3 Favored 'General case' 0 C--N 1.375 1.696 0 C-N-CA 126.171 1.788 . . . . 0.0 114.046 167.555 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 89.0 t90 -76.69 -48.63 18.31 Favored 'General case' 0 C--N 1.373 1.611 0 C-N-CA 126.742 2.017 . . . . 0.0 112.823 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.467 ' HG ' ' SG ' ' A' ' 79' ' ' CYS 0.526 0.0 OUTLIER -65.62 -34.07 77.37 Favored 'General case' 0 C--N 1.358 0.948 0 C-N-CA 126.786 2.034 . . . . 0.0 115.488 176.651 . . . . . . . . 4 4 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -63.63 -28.05 71.94 Favored Glycine 0 C--N 1.367 2.305 0 C-N-CA 128.314 2.864 . . . . 0.0 115.094 163.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 36.4 ttt85 -76.74 -36.59 57.0 Favored 'General case' 0 C--N 1.36 1.042 0 C-N-CA 126.103 1.761 . . . . 0.0 113.658 177.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -72.86 -13.4 61.27 Favored 'General case' 0 C--N 1.363 1.162 0 N-CA-C 116.454 2.02 . . . . 0.0 116.454 -174.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 90.21 17.54 52.89 Favored Glycine 0 C--N 1.357 1.74 0 C-N-CA 124.626 1.108 . . . . 0.0 113.851 178.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.26 -25.22 12.05 Favored 'General case' 0 CA--C 1.486 -1.492 0 C-N-CA 125.233 1.413 . . . . 0.0 111.678 -179.195 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.467 ' SG ' ' HG ' ' A' ' 73' ' ' LEU . 2.7 m -140.27 139.91 35.61 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-N 122.522 2.419 . . . . 0.0 111.986 -179.199 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 83.5 mttt -98.58 115.32 28.37 Favored 'General case' 0 C--N 1.357 0.934 0 O-C-N 120.362 -1.461 . . . . 0.0 109.624 173.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -99.99 151.61 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 O-C-N 118.634 -2.541 . . . . 0.0 113.957 -175.593 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -148.2 154.24 39.85 Favored 'General case' 0 C--N 1.356 0.878 0 CA-C-N 113.25 -1.795 . . . . 0.0 110.703 173.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 77.6 tt0 -119.5 140.26 50.77 Favored 'General case' 0 C--N 1.368 1.38 0 CA-C-O 123.02 1.39 . . . . 0.0 112.629 -177.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 72.8 p -119.56 177.42 1.38 Allowed Pre-proline 0 CA--C 1.504 -0.79 0 C-N-CA 130.777 3.631 . . . . 0.0 110.572 -178.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -71.53 -4.44 15.02 Favored 'Trans proline' 0 N--CA 1.442 -1.512 0 N-CA-C 117.877 2.222 . . . . 0.0 117.877 165.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 54.0 mttp -116.32 -5.73 11.8 Favored 'General case' 0 C--N 1.363 1.157 0 CA-C-N 120.974 1.715 . . . . 0.0 114.334 -176.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 155.62 -172.38 33.7 Favored Glycine 0 C--N 1.354 1.563 0 O-C-N 120.574 -1.329 . . . . 0.0 113.001 -178.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.445 ' CZ3' ' HB ' ' A' ' 70' ' ' THR . 6.1 m95 -102.42 110.04 21.87 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 127.885 2.474 . . . . 0.0 109.973 179.24 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -104.58 133.19 49.86 Favored 'General case' 0 C--N 1.362 1.137 0 C-N-CA 126.094 1.758 . . . . 0.0 107.232 -176.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.4 pt -118.85 136.23 56.7 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.603 0 N-CA-C 104.854 -2.276 . . . . 0.0 104.854 -175.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -117.4 122.54 44.11 Favored 'General case' 0 CA--C 1.496 -1.12 0 N-CA-C 102.556 -3.128 . . . . 0.0 102.556 169.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . 0.3 86.0 t80 -71.42 147.95 47.39 Favored 'General case' 0 N--CA 1.44 -0.928 0 C-N-CA 127.085 2.154 . . . . 0.0 113.249 -178.111 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 34.8 mm -86.66 116.8 29.88 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.853 0 C-N-CA 131.012 3.725 . . . . 0.0 104.589 175.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . 0.342 46.3 p-10 -79.53 95.53 5.87 Favored 'General case' 0 C--N 1.361 1.087 0 O-C-N 120.538 -1.351 . . . . 0.0 111.657 -179.554 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . 0.259 23.9 mmm180 -35.86 -93.14 0.0 OUTLIER 'General case' 0 C--N 1.359 0.982 1 C-N-CA 134.54 5.136 . . . . 0.0 114.292 179.088 . . . . . . . . 3 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -102.29 115.56 64.34 Favored Pre-proline 0 N--CA 1.447 -0.586 0 CA-C-O 114.546 -2.645 . . . . 0.0 104.207 156.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -58.23 -21.6 52.83 Favored 'Trans proline' 0 C--N 1.358 1.034 1 C-N-CA 126.959 5.106 . . . . 0.0 115.782 179.003 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -67.52 -20.22 65.41 Favored 'General case' 0 C--N 1.365 1.274 0 C-N-CA 127.951 2.5 . . . . 0.0 111.142 167.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . 0.258 0.4 OUTLIER -76.54 -53.03 8.63 Favored 'General case' 0 C--N 1.368 1.397 0 C-N-CA 125.733 1.613 . . . . 0.0 109.135 167.603 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.84 -51.17 73.79 Favored 'Isoleucine or valine' 0 C--N 1.382 2.013 0 C-N-CA 129.216 3.006 . . . . 0.0 112.578 177.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 26.2 mmt85 -72.99 -21.5 60.83 Favored 'General case' 0 C--N 1.358 0.978 0 O-C-N 119.375 -2.078 . . . . 0.0 113.566 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -82.0 -37.83 25.98 Favored 'General case' 0 C--N 1.369 1.452 0 C-N-CA 124.773 1.229 . . . . 0.0 109.099 171.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . 0.441 37.9 mt-30 -60.37 -46.54 89.59 Favored 'General case' 0 C--N 1.37 1.473 0 C-N-CA 129.071 2.948 . . . . 0.0 113.636 172.101 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . 0.254 0.0 OUTLIER -82.22 -50.8 8.58 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 115.901 1.815 . . . . 0.0 115.901 174.89 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 . . . . . 0 C--N 1.362 1.152 0 N-CA-C 117.881 2.548 . . . . 0.0 117.881 -171.38 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.7 tmt? . . . . . 0 CA--C 1.501 -0.936 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -63.0 -32.55 73.94 Favored 'General case' 0 C--N 1.365 1.245 0 C-N-CA 127.193 2.197 . . . . 0.0 114.385 177.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -69.87 -52.65 23.02 Favored 'General case' 0 C--N 1.366 1.319 0 C-N-CA 127.089 2.156 . . . . 0.0 113.453 176.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 -73.73 -34.0 64.59 Favored 'General case' 0 C--N 1.356 0.865 0 C-N-CA 129.044 2.938 . . . . 0.0 113.323 178.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . 0.321 5.9 m -70.72 -29.42 65.69 Favored 'General case' 0 C--N 1.365 1.257 0 C-N-CA 126.004 1.721 . . . . 0.0 113.98 173.144 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -65.2 -40.18 93.83 Favored 'General case' 0 C--N 1.369 1.456 0 O-C-N 120.714 -1.241 . . . . 0.0 113.169 172.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -74.97 -49.96 18.26 Favored 'General case' 0 C--N 1.364 1.23 0 C-N-CA 125.849 1.66 . . . . 0.0 112.761 171.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.448 ' CZ ' ' CZ ' ' A' ' 46' ' ' TYR . 12.9 t80 -66.55 -52.8 41.74 Favored 'General case' 0 C--N 1.371 1.543 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 -178.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.405 HH11 ' HG ' ' A' ' 28' ' ' LEU 0.386 0.0 OUTLIER -66.03 -38.69 89.04 Favored 'General case' 0 C--N 1.359 1.0 0 O-C-N 120.153 -1.592 . . . . 0.0 115.208 178.791 . . . . . . . . 4 4 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -70.91 -51.16 27.78 Favored 'General case' 0 C--N 1.358 0.953 0 O-C-N 119.455 -2.028 . . . . 0.0 115.525 173.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -74.41 -39.55 62.57 Favored 'General case' 0 C--N 1.37 1.457 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 -178.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -66.98 -44.87 79.33 Favored 'General case' 0 C--N 1.373 1.619 0 C-N-CA 126.023 1.729 . . . . 0.0 111.269 176.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.405 ' HG ' HH11 ' A' ' 24' ' ' ARG . 16.7 mt -66.81 -35.68 80.61 Favored 'General case' 0 C--N 1.379 1.85 0 CA-C-N 119.983 1.265 . . . . 0.0 112.811 172.133 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -60.4 -54.1 49.63 Favored 'General case' 0 C--N 1.366 1.309 0 N-CA-C 115.439 1.644 . . . . 0.0 115.439 172.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -34.81 73.09 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 125.886 1.674 . . . . 0.0 114.764 178.195 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.473 HD13 ' CD2' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -60.6 -53.82 52.87 Favored 'General case' 0 C--N 1.373 1.616 0 C-N-CA 127.266 2.226 . . . . 0.0 110.864 170.814 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.3 mtm180 -63.45 -38.44 91.14 Favored 'General case' 0 C--N 1.365 1.24 0 N-CA-C 114.984 1.475 . . . . 0.0 114.984 -176.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . 0.27 2.6 ptt180 -71.68 -51.44 23.01 Favored 'General case' 0 C--N 1.374 1.665 0 N-CA-C 116.947 2.203 . . . . 0.0 116.947 165.005 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 -79.71 -28.73 40.57 Favored 'General case' 0 C--N 1.358 0.967 0 N-CA-C 114.516 1.302 . . . . 0.0 114.516 -167.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -117.55 -31.25 5.27 Favored 'General case' 0 C--N 1.359 1.005 0 C-N-CA 125.034 1.334 . . . . 0.0 112.243 -175.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 75.36 -116.85 5.08 Favored Glycine 0 C--N 1.378 2.912 0 C-N-CA 125.595 1.569 . . . . 0.0 113.696 -174.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.0 p -124.88 108.11 11.58 Favored 'General case' 0 N--CA 1.441 -0.903 0 N-CA-C 100.693 -3.817 . . . . 0.0 100.693 169.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -157.82 142.44 16.36 Favored 'General case' 0 CA--C 1.493 -1.247 0 N-CA-C 104.308 -2.478 . . . . 0.0 104.308 -175.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.85 107.88 4.22 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-O 123.114 1.435 . . . . 0.0 112.068 175.197 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.7 p -141.46 145.79 24.19 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.071 0 O-C-N 120.082 -1.636 . . . . 0.0 106.877 -176.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -68.45 135.81 52.26 Favored 'General case' 0 N--CA 1.444 -0.731 0 C-N-CA 127.917 2.487 . . . . 0.0 112.662 -179.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -65.8 -29.64 70.15 Favored 'General case' 0 C--N 1.361 1.078 0 N-CA-C 116.819 2.155 . . . . 0.0 116.819 -175.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -66.8 -27.02 67.23 Favored 'General case' 0 C--N 1.361 1.075 0 C-N-CA 125.408 1.483 . . . . 0.0 113.138 171.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.408 ' HA ' ' ND2' ' A' ' 47' ' ' ASN . 12.3 mt -76.3 -43.53 36.67 Favored 'Isoleucine or valine' 0 C--N 1.372 1.577 0 C-N-CA 128.61 2.764 . . . . 0.0 112.384 174.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.4 m -70.12 -37.29 71.51 Favored 'Isoleucine or valine' 0 C--N 1.367 1.329 0 O-C-N 121.014 -1.054 . . . . 0.0 109.23 171.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.448 ' CZ ' ' CZ ' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -65.32 -51.98 57.01 Favored 'General case' 0 C--N 1.391 2.396 0 C-N-CA 126.256 1.822 . . . . 0.0 111.663 175.601 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.408 ' ND2' ' HA ' ' A' ' 44' ' ' ILE . 15.9 p30 -59.21 -28.03 66.28 Favored 'General case' 0 C--N 1.369 1.453 0 CA-C-N 121.821 2.101 . . . . 0.0 115.636 175.236 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -75.71 -43.84 45.06 Favored 'General case' 0 C--N 1.367 1.349 0 CA-C-N 114.149 -1.387 . . . . 0.0 111.473 177.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.56 ' CE1' HG21 ' A' ' 50' ' ' ILE . 22.2 t80 -64.31 -53.25 51.82 Favored 'General case' 0 C--N 1.357 0.929 0 C-N-CA 131.519 3.928 . . . . 0.0 114.722 176.056 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.56 HG21 ' CE1' ' A' ' 49' ' ' TYR 0.432 1.1 pt -82.09 -3.88 7.4 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.16 0 N-CA-C 121.304 3.816 . . . . 0.0 121.304 -177.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 24.4 t -87.78 57.11 4.19 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.754 1.622 . . . . 0.0 107.085 169.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -154.56 -166.68 2.39 Favored 'General case' 0 N--CA 1.447 -0.618 1 C-N-CA 131.894 4.078 . . . . 0.0 101.729 -173.553 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.2 ppt_? -65.09 -30.63 71.6 Favored 'General case' 0 C--N 1.362 1.132 0 N-CA-C 117.224 2.305 . . . . 0.0 117.224 175.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -81.57 10.53 5.8 Favored 'General case' 0 CA--C 1.5 -0.953 0 N-CA-C 120.181 3.4 . . . . 0.0 120.181 -164.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.408 ' HD2' ' HB ' ' A' ' 50' ' ' ILE 0.48 13.6 t-80 -29.74 71.16 0.0 OUTLIER 'General case' 0 C--N 1.367 1.328 1 N-CA-C 122.697 4.332 . . . . 0.0 122.697 -174.861 . . . . . . . . 4 3 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.407 HG22 ' HB2' ' A' ' 60' ' ' ALA . 38.2 mt -101.76 131.02 50.51 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.219 1 C-N-CA 132.293 4.237 . . . . 0.0 105.596 173.911 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.529 ' HB3' HD21 ' A' ' 59' ' ' ASN . 0.1 OUTLIER -114.16 160.16 19.28 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 103.326 -2.842 . . . . 0.0 103.326 170.018 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.93 -17.98 1.18 Allowed 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 119.553 3.168 . . . . 0.0 119.553 -171.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.529 HD21 ' HB3' ' A' ' 57' ' ' HIS 0.309 16.1 m-80 -78.35 -20.67 50.84 Favored 'General case' 0 N--CA 1.424 -1.73 1 C-N-CA 135.921 5.688 . . . . 0.0 109.678 -177.738 . . . . . . . . 4 3 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.407 ' HB2' HG22 ' A' ' 56' ' ' ILE . . . -89.45 49.26 1.72 Allowed 'General case' 0 C--N 1.385 2.113 0 C-N-CA 128.949 2.9 . . . . 0.0 110.994 168.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 8.3 p -149.81 -173.54 4.45 Favored 'General case' 0 C--N 1.361 1.083 0 C-N-CA 127.119 2.167 . . . . 0.0 109.975 -175.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -88.54 -19.89 25.79 Favored 'General case' 0 C--N 1.37 1.469 0 C-N-CA 129.662 3.185 . . . . 0.0 112.266 174.355 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 1.7 m-90 -85.17 107.61 17.32 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 128.529 2.732 . . . . 0.0 111.678 -176.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -72.5 -10.0 59.25 Favored 'General case' 0 C--N 1.361 1.089 0 N-CA-C 117.076 2.251 . . . . 0.0 117.076 178.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.4 p -147.65 153.97 40.03 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 127.659 2.383 . . . . 0.0 104.647 -175.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.2 tt -75.29 -3.24 32.21 Favored 'General case' 0 C--N 1.373 1.608 0 O-C-N 119.386 -2.071 . . . . 0.0 113.855 177.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.451 HG21 ' CZ2' ' A' ' 88' ' ' TRP . 33.0 m -80.54 -37.08 32.15 Favored 'General case' 0 C--N 1.358 0.973 0 C-N-CA 131.015 3.726 . . . . 0.0 107.643 175.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -72.79 -29.74 63.53 Favored 'General case' 0 C--N 1.361 1.087 0 N-CA-C 116.034 1.864 . . . . 0.0 116.034 174.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -72.48 -38.02 68.3 Favored 'General case' 0 C--N 1.363 1.177 0 C-N-CA 126.423 1.889 . . . . 0.0 110.346 171.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . 0.258 2.0 p -72.67 -35.21 67.64 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 124.796 1.238 . . . . 0.0 112.072 175.509 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.8 mmtp -62.38 -36.32 81.92 Favored 'General case' 0 C--N 1.378 1.837 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 169.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 87.2 t90 -78.29 -49.13 14.24 Favored 'General case' 0 C--N 1.37 1.478 0 C-N-CA 126.481 1.912 . . . . 0.0 112.742 177.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . 0.677 0.0 OUTLIER -65.28 -32.91 74.81 Favored 'General case' 0 C--N 1.361 1.091 0 O-C-N 119.157 -2.214 . . . . 0.0 115.637 177.852 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -60.41 -28.76 67.79 Favored Glycine 0 C--N 1.369 2.374 0 CA-C-N 112.306 -2.224 . . . . 0.0 116.101 160.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -83.5 -39.12 20.88 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 127.215 2.206 . . . . 0.0 114.668 177.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.438 ' CB ' ' CD1' ' A' ' 78' ' ' LEU . 49.7 mm-40 -66.96 -20.16 65.84 Favored 'General case' 0 C--N 1.359 1.0 0 C-N-CA 129.815 3.246 . . . . 0.0 113.504 177.07 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 91.35 15.6 55.09 Favored Glycine 0 C--N 1.359 1.833 0 CA-C-O 122.783 1.213 . . . . 0.0 111.412 165.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.438 ' CD1' ' CB ' ' A' ' 76' ' ' GLU . 3.1 mp -95.36 -31.73 13.28 Favored 'General case' 0 CA--C 1.48 -1.712 0 C-N-CA 125.112 1.365 . . . . 0.0 111.4 -177.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.4 m -140.7 146.18 37.47 Favored 'General case' 0 CA--C 1.508 -0.648 0 O-C-N 119.448 -2.032 . . . . 0.0 114.44 -177.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 59.6 mttt -99.07 143.53 29.25 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 129.087 2.955 . . . . 0.0 107.266 175.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -132.25 144.41 37.1 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.696 0 O-C-N 119.429 -2.044 . . . . 0.0 112.176 -170.641 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -142.81 150.65 40.23 Favored 'General case' 0 C--N 1.359 1.003 0 CA-C-N 113.983 -1.462 . . . . 0.0 110.272 173.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -121.48 138.33 54.33 Favored 'General case' 0 C--N 1.365 1.257 0 O-C-N 120.537 -1.352 . . . . 0.0 109.672 178.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 46.4 p -124.99 175.73 2.84 Favored Pre-proline 0 C--N 1.361 1.093 0 C-N-CA 127.27 2.228 . . . . 0.0 111.172 -175.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -64.99 -6.48 12.91 Favored 'Trans proline' 0 CA--C 1.559 1.742 0 C-N-CA 123.173 2.582 . . . . 0.0 117.272 163.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -119.88 25.92 9.64 Favored 'General case' 0 C--N 1.364 1.198 0 C-N-CA 127.5 2.32 . . . . 0.0 111.844 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 115.59 -168.08 12.55 Favored Glycine 0 C--N 1.366 2.242 0 N-CA-C 118.687 2.235 . . . . 0.0 118.687 174.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.451 ' CZ2' HG21 ' A' ' 67' ' ' THR . 18.2 m95 -97.67 110.09 22.72 Favored 'General case' 0 C--N 1.368 1.404 0 C-N-CA 129.809 3.243 . . . . 0.0 108.793 177.389 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -108.89 132.25 54.23 Favored 'General case' 0 C--N 1.363 1.188 0 C-N-CA 127.866 2.466 . . . . 0.0 107.14 -178.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 2.3 pt -122.92 137.66 55.64 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.973 0 C-N-CA 126.241 1.816 . . . . 0.0 107.35 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -123.31 125.55 45.24 Favored 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 103.534 -2.765 . . . . 0.0 103.534 171.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.473 ' CD2' HD13 ' A' ' 31' ' ' LEU 0.273 49.3 t80 -63.11 147.49 50.67 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 127.953 2.501 . . . . 0.0 114.118 178.076 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.2 mt -94.25 106.41 18.06 Favored 'Isoleucine or valine' 0 C--N 1.354 0.768 0 N-CA-C 100.363 -3.94 . . . . 0.0 100.363 177.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . 0.286 2.1 p30 -49.7 -27.11 4.36 Favored 'General case' 0 C--N 1.36 1.057 1 N-CA-C 122.389 4.218 . . . . 0.0 122.389 -167.847 . . . . . . . . 3 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . 0.321 6.3 mtp180 74.71 -92.45 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 128.208 2.603 . . . . 0.0 108.443 -179.476 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -102.45 119.25 56.72 Favored Pre-proline 0 N--CA 1.451 -0.387 0 N-CA-C 104.746 -2.316 . . . . 0.0 104.746 159.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -74.13 -8.6 21.21 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 125.239 3.959 . . . . 0.0 113.439 -177.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -70.81 -28.47 64.66 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 127.841 2.456 . . . . 0.0 109.672 168.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -68.51 -38.7 81.16 Favored 'General case' 0 C--N 1.372 1.55 0 O-C-N 120.223 -1.548 . . . . 0.0 111.621 174.487 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 45.7 mm -73.62 -50.76 28.11 Favored 'Isoleucine or valine' 0 C--N 1.365 1.275 0 C-N-CA 130.175 3.39 . . . . 0.0 110.168 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 85.4 mtm180 -66.34 -34.77 78.72 Favored 'General case' 0 C--N 1.364 1.223 0 O-C-N 119.992 -1.693 . . . . 0.0 113.697 175.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.83 -25.56 56.38 Favored 'General case' 0 C--N 1.372 1.545 0 C-N-CA 125.079 1.352 . . . . 0.0 111.171 173.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . 0.266 8.5 mt-30 -72.23 -41.05 67.27 Favored 'General case' 0 C--N 1.364 1.202 0 C-N-CA 124.684 1.194 . . . . 0.0 114.142 173.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.83 -53.89 6.63 Favored 'General case' 0 C--N 1.355 0.844 0 O-C-N 120.974 -1.079 . . . . 0.0 112.927 177.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 . . . . . 0 C--N 1.362 1.13 0 N-CA-C 118.946 2.943 . . . . 0.0 118.946 -174.36 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.447 ' HE2' ' CE2' ' A' ' 72' ' ' TRP . 1.6 tmt? . . . . . 0 N--CA 1.478 0.959 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -65.11 -47.66 76.39 Favored 'General case' 0 C--N 1.365 1.24 0 O-C-N 119.429 -2.045 . . . . 0.0 113.952 172.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -70.39 -52.81 19.69 Favored 'General case' 0 C--N 1.364 1.215 0 C-N-CA 127.232 2.213 . . . . 0.0 114.646 175.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.8 m-30 -74.05 -44.5 54.06 Favored 'General case' 0 C--N 1.364 1.2 0 C-N-CA 127.184 2.194 . . . . 0.0 115.018 -178.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . 0.387 7.0 t -66.62 -29.17 69.15 Favored 'General case' 0 C--N 1.373 1.62 0 N-CA-C 114.918 1.451 . . . . 0.0 114.918 175.112 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -69.5 -48.35 60.88 Favored 'General case' 0 C--N 1.365 1.259 0 CA-C-N 121.709 2.05 . . . . 0.0 112.46 175.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -65.37 -45.9 82.25 Favored 'General case' 0 C--N 1.368 1.389 0 C-N-CA 125.999 1.719 . . . . 0.0 112.251 174.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.444 ' CE1' ' CE2' ' A' ' 46' ' ' TYR . 11.6 t80 -59.51 -50.95 71.95 Favored 'General case' 0 C--N 1.381 1.935 0 C-N-CA 125.258 1.423 . . . . 0.0 112.852 172.511 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.444 ' HE ' HD21 ' A' ' 28' ' ' LEU 0.387 0.0 OUTLIER -69.22 -34.22 74.52 Favored 'General case' 0 C--N 1.357 0.933 0 N-CA-C 116.274 1.953 . . . . 0.0 116.274 178.477 . . . . . . . . 4 4 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -71.13 -51.49 24.66 Favored 'General case' 0 C--N 1.357 0.924 0 O-C-N 120.279 -1.513 . . . . 0.0 114.538 172.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -76.79 -38.33 54.18 Favored 'General case' 0 C--N 1.365 1.272 0 N-CA-C 115.044 1.498 . . . . 0.0 115.044 178.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -70.84 -38.73 73.22 Favored 'General case' 0 C--N 1.373 1.619 0 C-N-CA 126.098 1.759 . . . . 0.0 110.63 175.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.444 HD21 ' HE ' ' A' ' 24' ' ' ARG . 0.1 OUTLIER -66.41 -37.88 86.21 Favored 'General case' 0 C--N 1.383 2.023 0 CA-C-N 121.065 1.757 . . . . 0.0 111.548 172.534 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -60.64 -53.79 53.18 Favored 'General case' 0 C--N 1.359 0.999 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 171.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.424 HD22 ' HG2' ' A' ' 48' ' ' GLU . 5.5 tp -57.27 -43.2 82.87 Favored 'General case' 0 C--N 1.365 1.264 0 C-N-CA 128.274 2.63 . . . . 0.0 114.002 175.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 tt -64.31 -45.91 85.88 Favored 'General case' 0 C--N 1.368 1.375 0 C-N-CA 129.608 3.163 . . . . 0.0 112.668 174.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 56.6 mtm180 -74.33 -45.46 47.13 Favored 'General case' 0 C--N 1.357 0.919 0 N-CA-C 115.297 1.591 . . . . 0.0 115.297 178.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.4 ptt180 -70.94 -48.22 54.68 Favored 'General case' 0 CA--C 1.48 -1.724 0 N-CA-C 117.527 2.417 . . . . 0.0 117.527 175.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.4 mtt180 -83.2 -31.07 27.28 Favored 'General case' 0 N--CA 1.435 -1.204 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 -175.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -111.97 -27.7 8.32 Favored 'General case' 0 C--N 1.362 1.141 0 CA-C-O 117.82 -1.086 . . . . 0.0 113.441 -174.201 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.34 -108.23 2.41 Favored Glycine 0 C--N 1.397 3.934 0 CA-C-N 123.156 2.707 . . . . 0.0 113.029 -175.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.8 p -135.1 108.28 7.72 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 100.475 -3.898 . . . . 0.0 100.475 168.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -141.16 139.95 33.98 Favored 'General case' 0 CA--C 1.505 -0.782 0 C-N-CA 125.178 1.391 . . . . 0.0 109.616 -177.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.08 110.78 5.96 Favored 'General case' 0 C--N 1.371 1.503 0 O-C-N 120.428 -1.42 . . . . 0.0 109.563 168.403 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.5 p -147.17 156.2 10.69 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.439 0 O-C-N 119.296 -2.127 . . . . 0.0 106.946 -166.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.408 ' CD2' ' O ' ' A' ' 88' ' ' TRP . 64.5 t-80 -85.75 119.8 26.48 Favored 'General case' 0 C--N 1.367 1.355 0 CA-C-O 123.155 1.455 . . . . 0.0 108.752 176.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -52.31 -32.82 39.66 Favored 'General case' 0 C--N 1.349 0.561 0 C-N-CA 130.186 3.394 . . . . 0.0 116.216 -178.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.291 3.5 t-20 -71.42 -28.11 63.76 Favored 'General case' 0 C--N 1.363 1.166 0 O-C-N 120.394 -1.441 . . . . 0.0 111.489 176.259 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.3 mt -66.29 -40.98 88.21 Favored 'Isoleucine or valine' 0 C--N 1.376 1.723 0 C-N-CA 128.22 2.608 . . . . 0.0 109.944 170.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.2 m -73.3 -39.53 55.85 Favored 'Isoleucine or valine' 0 C--N 1.359 0.982 0 C-N-CA 125.128 1.371 . . . . 0.0 112.239 178.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.444 ' CE2' ' CE1' ' A' ' 23' ' ' PHE . 0.4 OUTLIER -65.21 -50.98 63.77 Favored 'General case' 0 C--N 1.376 1.731 0 C-N-CA 129.837 3.255 . . . . 0.0 110.256 176.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -61.74 -31.95 72.16 Favored 'General case' 0 C--N 1.373 1.591 0 C-N-CA 127.126 2.171 . . . . 0.0 113.522 172.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.424 ' HG2' HD22 ' A' ' 30' ' ' LEU . 18.9 tt0 -69.24 -44.02 72.83 Favored 'General case' 0 C--N 1.365 1.256 0 C-N-CA 124.189 0.995 . . . . 0.0 113.206 171.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . 0.362 0.1 OUTLIER -68.05 -52.05 39.73 Favored 'General case' 0 C--N 1.362 1.13 0 C-N-CA 128.144 2.577 . . . . 0.0 113.41 175.075 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.467 ' HB ' ' HA ' ' A' ' 55' ' ' HIS . 0.5 OUTLIER -71.86 -18.63 19.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 N-CA-C 118.23 2.678 . . . . 0.0 118.23 -179.534 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 65.9 m -66.0 0.48 1.87 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 126.444 1.898 . . . . 0.0 115.384 175.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 57.7 m-70 -91.23 -137.65 0.15 Allowed 'General case' 0 C--N 1.358 0.953 0 C-N-CA 129.766 3.226 . . . . 0.0 107.218 172.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.34 -37.03 53.21 Favored 'General case' 0 C--N 1.357 0.925 0 N-CA-C 117.129 2.27 . . . . 0.0 117.129 177.112 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -78.43 11.74 2.31 Favored 'General case' 0 CA--C 1.502 -0.894 1 N-CA-C 123.727 4.714 . . . . 0.0 123.727 -160.019 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.467 ' HA ' ' HB ' ' A' ' 50' ' ' ILE 0.37 5.7 t-160 -28.94 48.09 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.311 1 N-CA-C 126.125 5.602 . . . . 0.0 126.125 -172.018 . . . . . . . . 4 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 7.3 mt -88.11 93.82 4.4 Favored 'Isoleucine or valine' 0 C--N 1.367 1.329 0 C-N-CA 131.454 3.902 . . . . 0.0 104.7 169.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -92.24 -176.01 4.22 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 125.667 1.587 . . . . 0.0 107.642 -179.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.0 ttm -56.85 -12.51 1.98 Allowed 'General case' 0 CA--C 1.549 0.937 0 O-C-N 118.239 -2.788 . . . . 0.0 113.942 170.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -85.72 -9.44 57.15 Favored 'General case' 0 CA--C 1.574 1.899 1 C-N-CA 134.056 4.942 . . . . 0.0 112.445 174.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -124.57 55.57 1.32 Allowed 'General case' 0 C--N 1.371 1.53 0 C-N-CA 126.895 2.078 . . . . 0.0 110.734 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 9.7 t -179.86 175.99 0.79 Allowed 'General case' 0 C--N 1.363 1.188 0 O-C-N 120.513 -1.367 . . . . 0.0 108.587 -173.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -83.36 -10.9 58.18 Favored 'General case' 0 C--N 1.366 1.295 0 C-N-CA 127.573 2.349 . . . . 0.0 115.746 -173.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -103.01 97.4 7.51 Favored 'General case' 0 N--CA 1.441 -0.911 0 C-N-CA 128.155 2.582 . . . . 0.0 107.612 -177.223 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -75.67 -42.84 50.17 Favored 'General case' 0 C--N 1.361 1.073 0 C-N-CA 127.396 2.279 . . . . 0.0 112.411 -177.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -110.33 142.41 42.0 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 103.322 -2.844 . . . . 0.0 103.322 179.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.9 tp -52.76 -31.87 40.44 Favored 'General case' 0 C--N 1.378 1.825 0 C-N-CA 128.562 2.745 . . . . 0.0 114.675 -174.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.481 HG21 ' CZ2' ' A' ' 88' ' ' TRP . 29.3 m -56.35 -44.31 79.97 Favored 'General case' 0 CA--C 1.497 -1.088 1 C-N-CA 134.273 5.029 . . . . 0.0 110.66 -179.305 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.93 -27.09 62.58 Favored 'General case' 0 C--N 1.36 1.061 0 N-CA-C 117.393 2.368 . . . . 0.0 117.393 173.626 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.423 ' CZ ' HD21 ' A' ' 73' ' ' LEU . 26.8 t80 -72.45 -37.88 68.42 Favored 'General case' 0 C--N 1.365 1.273 0 C-N-CA 125.497 1.519 . . . . 0.0 110.164 171.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.22 -36.84 72.01 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 126.72 2.008 . . . . 0.0 112.222 176.092 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.3 mmtt -62.09 -38.16 87.82 Favored 'General case' 0 C--N 1.383 2.054 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 168.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . 0.447 ' CE2' ' HE2' ' A' ' 16' ' ' MET . 79.9 t90 -80.71 -56.53 4.08 Favored 'General case' 0 C--N 1.364 1.221 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 178.187 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.447 HD23 ' HG ' ' A' ' 79' ' ' CYS . 0.2 OUTLIER -65.13 -35.36 80.88 Favored 'General case' 0 C--N 1.364 1.224 0 N-CA-C 116.865 2.172 . . . . 0.0 116.865 -178.285 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -59.66 -27.58 64.08 Favored Glycine 0 C--N 1.361 1.932 0 C-N-CA 127.675 2.559 . . . . 0.0 114.704 170.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -83.6 -18.78 37.05 Favored 'General case' 0 CA--C 1.506 -0.737 0 N-CA-C 116.387 1.995 . . . . 0.0 116.387 -177.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -85.01 -18.54 34.11 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 124.776 1.23 . . . . 0.0 112.751 -175.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 90.51 24.92 27.13 Favored Glycine 0 C--N 1.37 2.445 0 C-N-CA 120.429 -0.891 . . . . 0.0 111.222 -176.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -104.59 -36.1 7.61 Favored 'General case' 0 CA--C 1.48 -1.743 0 C-N-CA 123.852 0.861 . . . . 0.0 109.724 174.632 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 92' ' ' TYR . 22.6 m -134.27 151.08 51.08 Favored 'General case' 0 C--O 1.222 -0.382 0 N-CA-C 116.793 2.146 . . . . 0.0 116.793 -179.036 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -104.12 143.74 32.5 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 127.475 2.31 . . . . 0.0 107.183 171.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -129.05 142.34 44.29 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.599 0 O-C-N 118.833 -2.417 . . . . 0.0 112.009 -175.3 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -139.89 150.95 45.21 Favored 'General case' 0 C--N 1.364 1.233 0 C-N-CA 125.699 1.6 . . . . 0.0 109.257 176.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -123.4 139.65 53.82 Favored 'General case' 0 C--N 1.369 1.429 0 O-C-N 120.507 -1.371 . . . . 0.0 112.301 -179.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 71.4 p -121.03 176.68 1.77 Allowed Pre-proline 0 C--N 1.358 0.97 0 C-N-CA 131.156 3.782 . . . . 0.0 109.375 -178.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -70.61 -1.49 9.26 Favored 'Trans proline' 0 N--CA 1.443 -1.49 0 N-CA-C 117.797 2.191 . . . . 0.0 117.797 165.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -111.02 -6.54 14.63 Favored 'General case' 0 C--N 1.361 1.1 0 CA-C-N 120.4 1.455 . . . . 0.0 114.163 -176.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 150.91 -164.64 30.03 Favored Glycine 0 C--N 1.359 1.813 0 O-C-N 120.631 -1.293 . . . . 0.0 112.943 -172.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.481 ' CZ2' HG21 ' A' ' 67' ' ' THR . 20.5 m95 -105.59 131.42 53.0 Favored 'General case' 0 C--N 1.359 0.985 0 CA-C-O 124.265 1.984 . . . . 0.0 107.417 171.16 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -116.2 125.7 52.63 Favored 'General case' 0 CA--C 1.5 -0.953 0 N-CA-C 103.34 -2.837 . . . . 0.0 103.34 -179.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -115.64 138.35 46.32 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.836 0 C-N-CA 126.527 1.931 . . . . 0.0 106.105 -179.414 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -121.17 120.37 35.05 Favored 'General case' 0 CA--C 1.49 -1.342 0 N-CA-C 102.587 -3.116 . . . . 0.0 102.587 171.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.562 ' HH ' ' CG ' ' A' ' 95' ' ' ARG 0.495 0.2 OUTLIER -73.84 147.31 43.43 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.945 1.698 . . . . 0.0 112.337 179.399 . . . . . . . . 4 4 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . 0.272 2.3 mm -86.33 120.31 35.86 Favored 'Isoleucine or valine' 0 C--N 1.355 0.81 1 C-N-CA 134.083 4.953 . . . . 0.0 104.496 -176.828 . . . . . . . . 3 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . 0.401 1.1 p30 -83.84 85.38 7.31 Favored 'General case' 0 C--N 1.366 1.313 0 CA-C-N 122.935 2.607 . . . . 0.0 111.545 179.015 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.562 ' CG ' ' HH ' ' A' ' 92' ' ' TYR . 15.5 mmm180 -27.07 -100.82 0.0 OUTLIER 'General case' 0 C--N 1.354 0.79 1 C-N-CA 134.961 5.305 . . . . 0.0 115.627 175.13 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -102.56 121.47 49.65 Favored Pre-proline 0 C--N 1.35 0.6 0 CA-C-O 113.857 -2.973 . . . . 0.0 105.405 163.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_exo -55.33 -25.34 47.08 Favored 'Trans proline' 0 C--N 1.358 1.07 2 C-N-CA 126.992 5.128 . . . . 0.0 117.017 -176.533 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -54.04 -44.63 71.17 Favored 'General case' 0 C--N 1.364 1.236 0 C-N-CA 129.193 2.997 . . . . 0.0 110.771 167.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -57.3 -47.19 82.14 Favored 'General case' 0 C--N 1.369 1.421 0 C-N-CA 126.756 2.023 . . . . 0.0 114.142 175.711 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.8 mp -66.78 -50.02 69.24 Favored 'Isoleucine or valine' 0 C--N 1.365 1.252 1 C-N-CA 131.822 4.049 . . . . 0.0 110.784 175.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 75.4 mtm-85 -69.05 -34.66 75.53 Favored 'General case' 0 C--N 1.361 1.071 0 O-C-N 119.241 -2.162 . . . . 0.0 113.237 177.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 -66.18 -33.47 75.85 Favored 'General case' 0 C--N 1.376 1.753 0 C-N-CA 126.089 1.756 . . . . 0.0 111.27 168.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . 0.319 1.0 OUTLIER -63.71 -59.55 4.44 Favored 'General case' 0 C--N 1.359 0.995 0 N-CA-C 115.999 1.851 . . . . 0.0 115.999 168.311 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.3 -38.88 75.07 Favored 'General case' 0 C--N 1.345 0.387 0 N-CA-C 115.548 1.684 . . . . 0.0 115.548 -176.097 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 . . . . . 0 C--N 1.362 1.128 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 -178.971 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.8 tmt? . . . . . 0 N--CA 1.474 0.757 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -62.36 -44.25 96.9 Favored 'General case' 0 C--N 1.363 1.182 0 O-C-N 120.234 -1.541 . . . . 0.0 112.602 170.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -70.31 -53.41 16.9 Favored 'General case' 0 C--N 1.362 1.125 0 C-N-CA 126.795 2.038 . . . . 0.0 115.454 173.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.277 28.7 m-85 -74.79 -39.73 61.56 Favored 'General case' 0 C--N 1.369 1.455 0 C-N-CA 126.839 2.056 . . . . 0.0 115.679 179.375 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . 0.304 1.4 t -66.87 -30.11 70.18 Favored 'General case' 0 C--N 1.375 1.681 0 C-N-CA 125.128 1.371 . . . . 0.0 112.407 175.435 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -69.9 -35.22 74.44 Favored 'General case' 0 C--N 1.37 1.478 0 C-N-CA 124.714 1.206 . . . . 0.0 113.947 170.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -75.71 -49.92 16.86 Favored 'General case' 0 C--N 1.37 1.476 0 CA-C-N 120.284 1.402 . . . . 0.0 112.753 171.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.463 ' CE2' ' CE1' ' A' ' 46' ' ' TYR . 23.3 t80 -60.58 -52.37 65.46 Favored 'General case' 0 C--N 1.375 1.707 0 C-N-CA 128.041 2.536 . . . . 0.0 112.876 179.27 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.418 HH11 ' HG ' ' A' ' 28' ' ' LEU 0.431 0.0 OUTLIER -70.49 -28.88 65.33 Favored 'General case' 0 C--N 1.358 0.952 0 N-CA-C 115.587 1.699 . . . . 0.0 115.587 -178.748 . . . . . . . . 4 4 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -71.31 -52.31 19.5 Favored 'General case' 0 C--N 1.363 1.156 0 N-CA-C 115.148 1.536 . . . . 0.0 115.148 171.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -76.55 -39.06 53.92 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 124.769 1.227 . . . . 0.0 112.879 -179.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -70.8 -42.38 70.39 Favored 'General case' 0 C--N 1.365 1.271 0 CA-C-O 116.348 -1.787 . . . . 0.0 112.146 174.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.418 ' HG ' HH11 ' A' ' 24' ' ' ARG . 14.6 mt -66.3 -38.81 88.6 Favored 'General case' 0 C--N 1.386 2.16 0 CA-C-N 123.31 2.777 . . . . 0.0 111.929 173.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -61.13 -51.74 67.8 Favored 'General case' 0 C--N 1.368 1.401 0 N-CA-C 114.629 1.344 . . . . 0.0 114.629 173.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.413 ' O ' ' HB2' ' A' ' 34' ' ' ARG . 4.4 tt -60.1 -42.61 95.04 Favored 'General case' 0 C--N 1.357 0.895 0 C-N-CA 128.281 2.633 . . . . 0.0 113.641 174.693 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 tt -59.13 -50.23 74.83 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 127.293 2.237 . . . . 0.0 113.336 170.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.404 ' HG2' ' CZ ' ' A' ' 92' ' ' TYR . 97.6 mtt180 -64.95 -38.46 91.06 Favored 'General case' 0 C--N 1.365 1.275 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 175.606 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . 0.261 8.5 ptt-85 -73.72 -52.99 11.4 Favored 'General case' 0 CA--C 1.466 -2.262 0 CA-C-N 122.855 2.57 . . . . 0.0 115.46 170.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.413 ' HB2' ' O ' ' A' ' 30' ' ' LEU . 4.4 mmt85 -83.4 -30.91 26.99 Favored 'General case' 0 N--CA 1.425 -1.676 0 CA-C-N 112.797 -2.002 . . . . 0.0 115.164 -161.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -114.36 -23.15 9.53 Favored 'General case' 0 C--N 1.362 1.126 0 C-N-CA 124.05 0.94 . . . . 0.0 111.936 -174.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.91 -103.51 2.12 Favored Glycine 0 C--N 1.384 3.207 0 O-C-N 119.428 -2.045 . . . . 0.0 111.749 -177.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.448 HG21 ' CD2' ' A' ' 92' ' ' TYR . 5.7 p -147.81 108.72 4.22 Favored 'General case' 0 N--CA 1.444 -0.764 1 N-CA-C 98.407 -4.664 . . . . 0.0 98.407 165.943 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.1 ttmm -145.67 143.42 29.79 Favored 'General case' 0 CA--C 1.504 -0.799 0 C-N-CA 124.914 1.285 . . . . 0.0 108.784 -176.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.9 107.64 4.13 Favored 'General case' 0 CA--C 1.567 1.606 0 C-N-CA 125.07 1.348 . . . . 0.0 110.369 175.372 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.5 p -151.49 154.98 7.48 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.303 0 O-C-N 118.995 -2.316 . . . . 0.0 105.924 -170.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.417 ' CE1' ' HG ' ' A' ' 66' ' ' LEU . 7.9 t-80 -76.45 139.75 40.99 Favored 'General case' 0 C--N 1.358 0.96 0 CA-C-N 120.148 1.34 . . . . 0.0 110.106 178.19 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -59.05 -29.64 67.46 Favored 'General case' 0 C--N 1.371 1.542 0 O-C-N 120.19 -1.569 . . . . 0.0 114.128 172.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.371 3.0 t-20 -64.88 -29.13 70.07 Favored 'General case' 0 C--N 1.369 1.456 0 N-CA-C 115.513 1.672 . . . . 0.0 115.513 176.141 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.401 ' HA ' ' ND2' ' A' ' 47' ' ' ASN . 4.9 mt -76.58 -37.17 29.16 Favored 'Isoleucine or valine' 0 C--N 1.369 1.43 0 C-N-CA 127.705 2.402 . . . . 0.0 111.265 171.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.8 m -73.43 -36.62 48.91 Favored 'Isoleucine or valine' 0 C--N 1.362 1.122 0 O-C-N 121.002 -1.061 . . . . 0.0 110.164 174.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.463 ' CE1' ' CE2' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -64.53 -52.9 55.4 Favored 'General case' 0 C--N 1.387 2.21 0 C-N-CA 129.308 3.043 . . . . 0.0 110.016 175.471 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.401 ' ND2' ' HA ' ' A' ' 44' ' ' ILE . 4.3 p30 -62.04 -27.28 68.78 Favored 'General case' 0 C--N 1.376 1.726 0 C-N-CA 127.315 2.246 . . . . 0.0 113.884 175.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -76.35 -45.61 31.22 Favored 'General case' 0 C--N 1.367 1.331 0 C-N-CA 124.957 1.303 . . . . 0.0 111.524 174.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -61.35 -47.88 83.87 Favored 'General case' 0 C--N 1.358 0.97 0 C-N-CA 130.777 3.631 . . . . 0.0 114.265 175.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.528 ' CD1' ' HD1' ' A' ' 57' ' ' HIS . 6.0 pt -80.24 -5.13 7.99 Favored 'Isoleucine or valine' 0 C--N 1.354 0.792 0 N-CA-C 120.525 3.528 . . . . 0.0 120.525 -174.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.5 t -79.04 6.64 8.94 Favored 'General case' 0 CA--C 1.556 1.179 0 CA-C-N 119.36 0.982 . . . . 0.0 112.241 172.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -90.9 -154.35 0.35 Allowed 'General case' 0 CA--C 1.559 1.324 0 C-N-CA 131.574 3.95 . . . . 0.0 106.824 172.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.51 -42.43 64.82 Favored 'General case' 0 C--N 1.363 1.157 0 O-C-N 117.75 -3.094 . . . . 0.0 116.757 -179.538 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -62.08 12.45 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.108 1 C-N-CA 137.592 6.357 . . . . 0.0 121.287 -172.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.434 ' HA ' ' HB ' ' A' ' 50' ' ' ILE 0.293 6.0 t-160 -38.88 59.31 0.0 OUTLIER 'General case' 0 C--N 1.36 1.063 1 N-CA-C 122.294 4.183 . . . . 0.0 122.294 -173.182 . . . . . . . . 4 3 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 59.9 mt -96.97 111.58 27.2 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.865 1 C-N-CA 134.942 5.297 . . . . 0.0 107.778 178.361 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.528 ' HD1' ' CD1' ' A' ' 50' ' ' ILE . 19.9 t60 -94.98 -177.18 4.07 Favored 'General case' 0 C--N 1.347 0.48 0 CA-C-N 122.759 2.527 . . . . 0.0 109.799 177.251 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.7 tpp -53.49 -22.76 8.65 Favored 'General case' 0 N--CA 1.494 1.774 0 CA-C-O 125.039 2.352 . . . . 0.0 114.468 175.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -84.65 -8.97 58.68 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 129.574 3.15 . . . . 0.0 112.546 179.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -99.59 37.46 1.59 Allowed 'General case' 0 C--N 1.368 1.373 0 C-N-CA 127.019 2.127 . . . . 0.0 111.666 173.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . 0.303 2.7 t -162.98 163.63 26.03 Favored 'General case' 0 C--N 1.361 1.089 0 C-N-CA 125.543 1.537 . . . . 0.0 108.086 -175.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -75.52 0.18 18.15 Favored 'General case' 0 C--N 1.379 1.882 0 C-N-CA 129.052 2.941 . . . . 0.0 117.714 -172.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 3.3 m-90 -96.46 118.5 33.11 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 127.069 2.148 . . . . 0.0 105.88 178.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -87.11 -8.89 56.56 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 120.859 1.663 . . . . 0.0 114.345 -178.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 27.6 p -134.23 153.88 51.59 Favored 'General case' 0 C--N 1.347 0.46 0 N-CA-C 105.365 -2.087 . . . . 0.0 105.365 -176.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.417 ' HG ' ' CE1' ' A' ' 41' ' ' HIS . 10.4 tp -65.37 -32.9 74.78 Favored 'General case' 0 C--N 1.372 1.544 0 C-N-CA 127.093 2.157 . . . . 0.0 112.094 179.291 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.4 HG21 ' CZ2' ' A' ' 88' ' ' TRP . 52.6 m -57.32 -46.66 83.01 Favored 'General case' 0 C--N 1.358 0.938 1 C-N-CA 135.562 5.545 . . . . 0.0 113.858 175.472 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -72.0 -26.76 62.35 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 126.186 1.795 . . . . 0.0 115.414 178.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -70.48 -38.41 74.39 Favored 'General case' 0 C--N 1.356 0.856 0 C-N-CA 127.998 2.519 . . . . 0.0 110.206 170.421 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.34 -34.08 70.19 Favored 'General case' 0 C--N 1.356 0.881 0 C-N-CA 126.483 1.913 . . . . 0.0 111.893 173.712 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 49.6 mmtt -64.38 -34.11 77.4 Favored 'General case' 0 C--N 1.377 1.761 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 169.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 85.0 t90 -80.79 -56.94 3.8 Favored 'General case' 0 C--N 1.366 1.304 0 C-N-CA 124.883 1.273 . . . . 0.0 113.488 175.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . 0.426 0.0 OUTLIER -64.55 -34.5 78.4 Favored 'General case' 0 C--N 1.365 1.248 0 C-N-CA 127.495 2.318 . . . . 0.0 116.947 -175.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -56.84 -27.83 56.67 Favored Glycine 0 C--N 1.362 1.974 0 C-N-CA 128.346 2.879 . . . . 0.0 115.175 166.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 70.6 mtp85 -83.66 -18.82 36.76 Favored 'General case' 0 C--N 1.364 1.21 0 N-CA-C 115.733 1.753 . . . . 0.0 115.733 178.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -85.91 -9.56 56.71 Favored 'General case' 0 C--N 1.354 0.766 0 C-N-CA 124.963 1.305 . . . . 0.0 114.367 -175.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.55 25.32 28.27 Favored Glycine 0 C--N 1.364 2.105 0 C-N-CA 123.471 0.558 . . . . 0.0 112.487 -179.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -116.19 -5.18 11.87 Favored 'General case' 0 CA--C 1.5 -0.943 0 CA-C-O 124.066 1.889 . . . . 0.0 110.186 -179.362 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.468 ' SG ' ' HB ' ' A' ' 90' ' ' ILE . 0.1 OUTLIER -154.53 145.97 23.06 Favored 'General case' 0 CA--C 1.473 -1.996 0 O-C-N 119.254 -2.154 . . . . 0.0 114.654 -178.229 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -115.13 142.68 46.33 Favored 'General case' 0 N--CA 1.424 -1.737 0 N-CA-C 104.563 -2.384 . . . . 0.0 104.563 166.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -132.89 150.12 32.61 Favored 'Isoleucine or valine' 0 C--N 1.356 0.876 0 O-C-N 118.895 -2.378 . . . . 0.0 112.546 -170.289 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -148.61 154.47 39.76 Favored 'General case' 0 C--N 1.365 1.276 0 C-N-CA 124.623 1.169 . . . . 0.0 111.498 174.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -117.23 139.59 50.6 Favored 'General case' 0 C--N 1.367 1.339 0 O-C-N 119.886 -1.759 . . . . 0.0 110.672 178.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 43.1 p -118.08 176.36 1.67 Allowed Pre-proline 0 C--N 1.359 1.005 0 C-N-CA 129.399 3.08 . . . . 0.0 110.06 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -68.81 -1.53 7.85 Favored 'Trans proline' 0 N--CA 1.44 -1.656 0 N-CA-C 118.349 2.403 . . . . 0.0 118.349 166.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -115.96 -6.38 12.0 Favored 'General case' 0 C--N 1.362 1.122 0 CA-C-N 120.936 1.698 . . . . 0.0 112.938 -179.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 155.91 -165.23 32.58 Favored Glycine 0 C--N 1.363 2.048 0 O-C-N 120.0 -1.688 . . . . 0.0 115.35 -177.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.4 ' CZ2' HG21 ' A' ' 67' ' ' THR . 4.8 m95 -105.25 111.18 23.83 Favored 'General case' 0 C--N 1.363 1.187 0 C-N-CA 128.313 2.645 . . . . 0.0 110.777 176.451 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -107.33 140.08 40.8 Favored 'General case' 0 CA--C 1.499 -0.987 0 C-N-CA 127.562 2.345 . . . . 0.0 108.051 -174.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.468 ' HB ' ' SG ' ' A' ' 79' ' ' CYS . 1.5 pt -123.91 153.46 29.95 Favored 'Isoleucine or valine' 0 CA--C 1.476 -1.876 0 C-N-CA 127.041 2.137 . . . . 0.0 106.496 178.606 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -135.14 120.54 19.14 Favored 'General case' 0 N--CA 1.417 -2.079 1 N-CA-C 98.174 -4.75 . . . . 0.0 98.174 171.675 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.526 ' HH ' ' CG ' ' A' ' 95' ' ' ARG 0.54 0.1 OUTLIER -71.72 147.79 47.04 Favored 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 125.523 1.529 . . . . 0.0 111.263 -178.332 . . . . . . . . 4 4 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.5 mt -86.72 115.58 27.88 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.325 0 C-N-CA 126.701 2.0 . . . . 0.0 108.275 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.4 ' HB3' ' CG2' ' A' ' 37' ' ' THR 0.323 5.7 p-10 -73.57 59.61 0.63 Allowed 'General case' 0 C--N 1.372 1.574 0 N-CA-C 116.935 2.198 . . . . 0.0 116.935 -174.527 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.602 ' HE ' ' HA ' ' A' ' 95' ' ' ARG 0.296 1.2 mmp_? 3.87 -96.2 0.0 OUTLIER 'General case' 0 C--N 1.353 0.759 1 C-N-CA 133.879 4.872 . . . . 0.0 117.738 171.444 . . . . . . . . 4 3 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -102.84 113.3 65.99 Favored Pre-proline 0 C--N 1.351 0.633 0 CA-C-O 113.555 -3.117 . . . . 0.0 103.333 158.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -56.37 -24.14 50.3 Favored 'Trans proline' 0 C--N 1.357 0.976 2 C-N-CA 127.034 5.156 . . . . 0.0 116.939 -170.363 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -64.74 -29.35 70.33 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 125.29 1.436 . . . . 0.0 113.424 169.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -64.74 -43.07 94.55 Favored 'General case' 0 C--N 1.365 1.246 0 O-C-N 119.052 -2.28 . . . . 0.0 110.374 173.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.8 mp -72.14 -50.55 35.98 Favored 'Isoleucine or valine' 0 C--N 1.358 0.935 0 C-N-CA 130.129 3.372 . . . . 0.0 112.662 177.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 23.0 mmm180 -71.8 -27.19 62.77 Favored 'General case' 0 C--N 1.363 1.183 0 O-C-N 119.543 -1.973 . . . . 0.0 114.741 178.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.9 -34.59 44.58 Favored 'General case' 0 C--N 1.372 1.56 0 O-C-N 120.463 -1.398 . . . . 0.0 108.822 172.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -63.4 -34.29 77.42 Favored 'General case' 0 C--N 1.378 1.818 0 N-CA-C 115.289 1.589 . . . . 0.0 115.289 175.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.88 -53.84 5.83 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 124.554 1.142 . . . . 0.0 112.746 174.522 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 . . . . . 0 C--N 1.364 1.236 0 N-CA-C 119.612 3.19 . . . . 0.0 119.612 -173.137 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.1 tmt? . . . . . 0 N--CA 1.481 1.08 0 N-CA-C 113.85 1.056 . . . . 0.0 113.85 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -64.92 -49.83 68.88 Favored 'General case' 0 C--N 1.361 1.09 0 O-C-N 120.39 -1.444 . . . . 0.0 113.014 174.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -70.55 -52.15 23.66 Favored 'General case' 0 C--N 1.363 1.165 0 C-N-CA 126.996 2.118 . . . . 0.0 115.5 172.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.271 21.2 m-85 -73.59 -34.48 65.11 Favored 'General case' 0 C--N 1.371 1.502 0 O-C-N 121.033 -1.042 . . . . 0.0 113.195 -177.721 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . 0.311 1.7 t -71.15 -30.04 65.96 Favored 'General case' 0 C--N 1.374 1.634 0 O-C-N 120.683 -1.26 . . . . 0.0 111.847 170.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.428 ' O ' ' HB2' ' A' ' 25' ' ' ASN . 87.5 tt0 -69.98 -49.56 50.35 Favored 'General case' 0 C--N 1.372 1.569 0 CA-C-N 120.225 1.375 . . . . 0.0 113.026 170.399 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -72.33 -32.53 66.61 Favored 'General case' 0 C--N 1.371 1.529 0 CA-C-N 120.973 1.715 . . . . 0.0 114.619 177.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -73.09 -53.59 10.68 Favored 'General case' 0 C--N 1.374 1.644 0 O-C-N 120.394 -1.441 . . . . 0.0 111.305 170.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.345 0.0 OUTLIER -70.53 -31.24 68.22 Favored 'General case' 0 C--N 1.365 1.27 0 N-CA-C 116.139 1.903 . . . . 0.0 116.139 -178.633 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.428 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 3.0 m-80 -71.0 -50.98 28.23 Favored 'General case' 0 C--N 1.371 1.533 0 CA-C-N 121.481 1.946 . . . . 0.0 114.199 172.364 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -76.08 -35.9 59.19 Favored 'General case' 0 C--N 1.367 1.344 0 N-CA-C 114.074 1.139 . . . . 0.0 114.074 -178.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -68.29 -38.27 81.49 Favored 'General case' 0 C--N 1.374 1.644 0 C-N-CA 125.939 1.696 . . . . 0.0 111.158 174.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.08 -43.03 83.65 Favored 'General case' 0 C--N 1.382 2.021 0 C-N-CA 125.499 1.52 . . . . 0.0 109.109 172.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.08 -52.42 63.26 Favored 'General case' 0 C--N 1.356 0.871 0 N-CA-C 115.468 1.655 . . . . 0.0 115.468 172.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . 0.45 0.0 OUTLIER -72.54 -34.38 67.49 Favored 'General case' 0 C--N 1.374 1.663 0 N-CA-C 116.386 1.995 . . . . 0.0 116.386 173.944 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 tt -58.92 -51.06 71.67 Favored 'General case' 0 C--N 1.369 1.451 0 C-N-CA 128.914 2.886 . . . . 0.0 111.256 171.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.4 mtp180 -64.35 -45.77 86.36 Favored 'General case' 0 C--N 1.363 1.169 0 C-N-CA 127.828 2.451 . . . . 0.0 114.417 174.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . 0.38 2.0 ptp180 -72.46 -51.99 17.78 Favored 'General case' 0 C--N 1.375 1.704 0 N-CA-C 121.359 3.837 . . . . 0.0 121.359 170.016 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -83.2 -31.43 27.09 Favored 'General case' 0 C--N 1.349 0.562 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 -170.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -113.07 -33.77 5.92 Favored 'General case' 0 C--N 1.354 0.793 0 C-N-CA 125.234 1.414 . . . . 0.0 112.032 -174.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.72 -116.13 4.56 Favored Glycine 0 C--N 1.388 3.439 0 O-C-N 119.856 -1.777 . . . . 0.0 111.709 -167.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.4 p -126.43 108.51 11.26 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 101.083 -3.673 . . . . 0.0 101.083 170.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.6 ttmt -150.13 150.36 31.55 Favored 'General case' 0 CA--C 1.512 -0.511 0 C-N-CA 124.594 1.157 . . . . 0.0 108.756 179.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.29 107.76 5.07 Favored 'General case' 0 C--N 1.363 1.16 0 C-N-CA 126.345 1.858 . . . . 0.0 110.931 174.707 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.5 p -151.26 154.81 7.83 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.352 0 N-CA-C 104.966 -2.235 . . . . 0.0 104.966 -171.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -85.24 134.74 34.13 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 126.471 1.908 . . . . 0.0 111.19 -177.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . 0.291 0.6 OUTLIER -57.65 -32.62 67.46 Favored 'General case' 0 C--N 1.379 1.85 0 N-CA-C 115.721 1.748 . . . . 0.0 115.721 -178.538 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.49 ' O ' ' HB3' ' A' ' 47' ' ' ASN 0.267 10.3 m120 -63.0 -27.71 69.6 Favored 'General case' 0 C--N 1.371 1.516 0 CA-C-O 116.125 -1.893 . . . . 0.0 112.594 168.689 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.1 mt -76.74 -37.28 28.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 CA-C-N 124.634 3.379 . . . . 0.0 112.885 171.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.2 m -73.85 -40.38 53.13 Favored 'Isoleucine or valine' 0 C--N 1.361 1.071 0 C-N-CA 124.225 1.01 . . . . 0.0 111.744 174.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.98 -52.92 57.37 Favored 'General case' 0 C--N 1.394 2.525 0 C-N-CA 129.226 3.011 . . . . 0.0 107.442 173.018 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.49 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 0.1 OUTLIER -60.03 -26.79 66.38 Favored 'General case' 0 C--N 1.362 1.14 0 CA-C-N 121.675 2.034 . . . . 0.0 116.46 175.766 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -77.35 -50.07 13.57 Favored 'General case' 0 C--N 1.363 1.157 0 C-N-CA 124.175 0.99 . . . . 0.0 110.795 174.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -56.69 -40.05 74.89 Favored 'General case' 0 C--N 1.366 1.316 1 C-N-CA 132.222 4.209 . . . . 0.0 112.671 175.565 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.507 HG22 ' CD2' ' A' ' 55' ' ' HIS . 1.0 OUTLIER -58.05 -28.33 33.81 Favored 'Isoleucine or valine' 0 C--N 1.354 0.797 0 C-N-CA 131.087 3.755 . . . . 0.0 113.646 -175.532 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 94.7 p -81.76 -3.74 54.57 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 117.388 2.366 . . . . 0.0 117.388 -176.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -96.99 -141.83 0.29 Allowed 'General case' 0 C--N 1.363 1.18 0 C-N-CA 127.186 2.194 . . . . 0.0 111.847 -176.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.39 -43.11 42.04 Favored 'General case' 0 C--N 1.375 1.684 0 O-C-N 118.91 -2.369 . . . . 0.0 113.914 179.511 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -64.01 12.01 0.04 OUTLIER 'General case' 0 N--CA 1.44 -0.955 1 C-N-CA 139.461 7.104 . . . . 0.0 118.527 -174.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.507 ' CD2' HG22 ' A' ' 50' ' ' ILE . 6.5 t-160 -54.73 72.8 0.0 OUTLIER 'General case' 0 C--N 1.361 1.071 0 C-N-CA 129.376 3.07 . . . . 0.0 117.929 -175.099 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 68.7 mt -103.17 141.19 19.51 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.084 1 C-N-CA 132.763 4.425 . . . . 0.0 105.016 176.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.435 ' CG ' HD21 ' A' ' 59' ' ' ASN . 3.5 t-160 -107.84 161.21 15.11 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 106.565 -1.642 . . . . 0.0 106.565 170.381 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.432 ' HE3' ' HA ' ' A' ' 66' ' ' LEU . 0.8 OUTLIER -51.52 -25.36 6.49 Favored 'General case' 0 N--CA 1.49 1.555 1 C-N-CA 132.584 4.353 . . . . 0.0 116.436 -177.066 . . . . . . . . 4 4 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.435 HD21 ' CG ' ' A' ' 57' ' ' HIS 0.316 13.0 m-80 -80.21 -20.52 44.49 Favored 'General case' 0 N--CA 1.427 -1.579 1 C-N-CA 134.679 5.191 . . . . 0.0 110.674 -174.602 . . . . . . . . 4 3 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -94.72 46.97 1.15 Allowed 'General case' 0 C--N 1.383 2.063 0 C-N-CA 128.026 2.53 . . . . 0.0 111.552 169.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.5 p -146.04 172.03 13.99 Favored 'General case' 0 C--N 1.353 0.738 0 N-CA-C 104.655 -2.35 . . . . 0.0 104.655 -176.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -92.14 1.72 57.03 Favored 'General case' 0 C--N 1.374 1.663 0 CA-C-O 124.472 2.082 . . . . 0.0 112.466 178.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 2.5 m-90 -94.27 108.59 20.47 Favored 'General case' 0 N--CA 1.439 -1.003 0 C-N-CA 127.969 2.508 . . . . 0.0 106.464 176.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -74.22 -12.58 60.61 Favored 'General case' 0 C--N 1.357 0.905 0 N-CA-C 115.694 1.739 . . . . 0.0 115.694 -177.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 38.8 p -138.85 155.9 47.75 Favored 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 104.477 -2.416 . . . . 0.0 104.477 -179.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.432 ' HA ' ' HE3' ' A' ' 58' ' ' MET . 5.9 tp -64.98 -29.02 69.91 Favored 'General case' 0 C--N 1.368 1.373 0 C-N-CA 128.127 2.571 . . . . 0.0 112.62 176.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.464 HG21 ' CZ2' ' A' ' 88' ' ' TRP . 41.4 m -59.63 -43.72 93.74 Favored 'General case' 0 C--N 1.36 1.04 1 C-N-CA 135.773 5.629 . . . . 0.0 111.751 177.502 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.97 -26.35 62.22 Favored 'General case' 0 C--N 1.357 0.914 0 C-N-CA 126.83 2.052 . . . . 0.0 115.682 176.473 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -74.62 -37.63 62.76 Favored 'General case' 0 C--N 1.358 0.962 0 C-N-CA 127.385 2.274 . . . . 0.0 109.4 173.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.6 p -71.58 -34.45 69.93 Favored 'General case' 0 C--N 1.355 0.826 0 C-N-CA 126.959 2.103 . . . . 0.0 110.76 172.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.1 mmtt -62.9 -37.16 85.83 Favored 'General case' 0 C--N 1.375 1.691 0 N-CA-C 116.084 1.883 . . . . 0.0 116.084 167.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 90.7 t90 -80.83 -49.46 11.05 Favored 'General case' 0 C--N 1.368 1.403 0 C-N-CA 127.331 2.252 . . . . 0.0 113.948 178.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . 0.303 5.2 tp -65.39 -33.97 77.21 Favored 'General case' 0 C--N 1.351 0.668 0 C-N-CA 129.32 3.048 . . . . 0.0 113.084 178.4 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -61.77 -30.9 76.29 Favored Glycine 0 C--N 1.375 2.705 0 C-N-CA 128.184 2.802 . . . . 0.0 115.978 160.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -84.02 -45.14 13.41 Favored 'General case' 0 C--N 1.36 1.05 0 C-N-CA 127.046 2.138 . . . . 0.0 115.367 177.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -68.08 -19.41 64.86 Favored 'General case' 0 C--N 1.364 1.209 0 C-N-CA 127.869 2.468 . . . . 0.0 113.823 -178.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.41 25.8 29.7 Favored Glycine 0 C--N 1.359 1.819 0 CA-C-N 115.909 -0.587 . . . . 0.0 114.019 176.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.9 mt -97.34 -37.98 9.82 Favored 'General case' 0 C--N 1.365 1.281 0 CA-C-N 118.745 1.273 . . . . 0.0 110.042 173.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 92' ' ' TYR . 25.8 m -133.84 149.79 51.38 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 121.362 1.892 . . . . 0.0 115.301 178.448 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -106.93 117.17 33.35 Favored 'General case' 0 C--N 1.366 1.305 0 C-N-CA 125.082 1.353 . . . . 0.0 111.64 175.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -99.78 154.09 4.33 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.82 0 N-CA-C 117.727 2.491 . . . . 0.0 117.727 -172.122 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -147.89 150.42 34.06 Favored 'General case' 0 C--N 1.355 0.83 0 CA-C-N 111.659 -2.519 . . . . 0.0 110.336 174.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 70.4 tt0 -117.96 139.05 51.71 Favored 'General case' 0 C--N 1.368 1.386 0 O-C-N 120.21 -1.556 . . . . 0.0 109.754 175.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 60.2 p -121.31 175.53 2.39 Favored Pre-proline 0 CA--C 1.499 -0.994 0 C-N-CA 130.323 3.449 . . . . 0.0 111.047 -174.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -66.97 -8.39 21.52 Favored 'Trans proline' 0 N--CA 1.443 -1.446 0 N-CA-C 118.308 2.388 . . . . 0.0 118.308 166.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -109.41 -6.32 15.5 Favored 'General case' 0 C--N 1.363 1.162 0 CA-C-N 120.325 1.42 . . . . 0.0 112.75 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 143.3 -164.84 27.21 Favored Glycine 0 C--N 1.36 1.876 0 CA-C-O 122.405 1.003 . . . . 0.0 115.311 -177.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.464 ' CZ2' HG21 ' A' ' 67' ' ' THR . 26.4 m95 -95.52 112.08 23.86 Favored 'General case' 0 C--N 1.366 1.304 0 C-N-CA 131.566 3.946 . . . . 0.0 110.896 179.286 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -116.84 138.2 51.68 Favored 'General case' 0 C--N 1.36 1.024 0 C-N-CA 125.421 1.489 . . . . 0.0 107.303 -178.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 4.8 pt -120.28 136.87 55.95 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.359 0 C-N-CA 128.86 2.864 . . . . 0.0 105.619 -178.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . 0.283 15.9 pt20 -121.91 114.33 20.86 Favored 'General case' 0 N--CA 1.436 -1.152 0 N-CA-C 103.285 -2.857 . . . . 0.0 103.285 171.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.418 ' HA ' ' HA ' ' A' ' 79' ' ' CYS 0.492 24.8 t80 -58.92 147.8 32.72 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 129.034 2.934 . . . . 0.0 114.557 -175.593 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.1 mt -90.44 111.69 23.8 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.585 1 C-N-CA 132.022 4.129 . . . . 0.0 104.28 178.674 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . 0.305 3.7 p-10 -74.99 95.92 3.09 Favored 'General case' 0 C--N 1.367 1.358 0 CA-C-O 122.644 1.212 . . . . 0.0 113.573 -176.583 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . 0.291 3.7 mmp_? -51.06 -91.86 0.0 OUTLIER 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 131.256 3.822 . . . . 0.0 115.62 -178.073 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -102.24 111.27 64.25 Favored Pre-proline 0 N--CA 1.448 -0.556 0 CA-C-O 115.357 -2.258 . . . . 0.0 105.831 163.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -59.63 -26.38 81.92 Favored 'Trans proline' 0 C--N 1.355 0.869 1 C-N-CA 126.529 4.819 . . . . 0.0 115.433 -178.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -67.33 -23.52 65.63 Favored 'General case' 0 C--N 1.361 1.103 0 C-N-CA 127.034 2.133 . . . . 0.0 111.215 169.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -76.22 -44.24 38.5 Favored 'General case' 0 C--N 1.365 1.282 0 O-C-N 119.213 -2.179 . . . . 0.0 110.048 170.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 49.3 mt -66.18 -50.1 71.17 Favored 'Isoleucine or valine' 0 C--N 1.36 1.06 0 C-N-CA 129.339 3.056 . . . . 0.0 111.344 179.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 71.9 mtt85 -70.22 -23.37 62.92 Favored 'General case' 0 C--N 1.361 1.09 0 O-C-N 118.571 -2.581 . . . . 0.0 114.082 174.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -78.97 -37.6 39.08 Favored 'General case' 0 C--N 1.373 1.63 0 C-N-CA 125.183 1.393 . . . . 0.0 111.195 171.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . 0.443 36.8 mt-30 -58.64 -46.83 86.27 Favored 'General case' 0 C--N 1.37 1.462 0 C-N-CA 128.519 2.728 . . . . 0.0 112.935 171.522 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -81.42 -49.63 10.42 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 115.447 1.647 . . . . 0.0 115.447 175.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 . . . . . 0 C--N 1.363 1.157 0 N-CA-C 117.939 2.57 . . . . 0.0 117.939 -172.517 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.4 ' HE2' ' CE2' ' A' ' 72' ' ' TRP . 1.0 OUTLIER . . . . . 0 N--CA 1.476 0.856 0 CA-C-O 121.789 0.804 . . . . 0.0 111.412 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -73.87 -41.99 61.41 Favored 'General case' 0 C--N 1.365 1.255 0 O-C-N 119.823 -1.798 . . . . 0.0 112.218 171.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -71.4 -53.86 12.63 Favored 'General case' 0 C--N 1.363 1.185 0 N-CA-C 115.745 1.758 . . . . 0.0 115.745 171.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.253 23.6 m-85 -74.59 -43.75 54.06 Favored 'General case' 0 C--N 1.371 1.532 0 O-C-N 120.014 -1.679 . . . . 0.0 115.362 -178.481 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . 0.396 3.9 t -69.08 -29.33 67.41 Favored 'General case' 0 C--N 1.371 1.507 0 N-CA-C 115.714 1.746 . . . . 0.0 115.714 176.322 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -69.82 -38.17 76.47 Favored 'General case' 0 C--N 1.37 1.477 0 C-N-CA 125.526 1.531 . . . . 0.0 111.306 173.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -74.86 -49.56 20.05 Favored 'General case' 0 C--N 1.366 1.304 0 C-N-CA 125.046 1.338 . . . . 0.0 113.244 170.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.419 ' CE1' ' CE2' ' A' ' 46' ' ' TYR 0.264 44.0 t80 -63.13 -48.27 79.22 Favored 'General case' 0 C--N 1.367 1.369 0 C-N-CA 126.362 1.865 . . . . 0.0 113.458 179.138 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.474 HH21 ' HG ' ' A' ' 79' ' ' CYS 0.303 1.0 OUTLIER -69.21 -29.21 67.12 Favored 'General case' 0 C--N 1.371 1.505 0 CA-C-N 123.402 2.819 . . . . 0.0 113.743 174.031 . . . . . . . . 4 4 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -68.06 -51.38 47.32 Favored 'General case' 0 C--N 1.368 1.406 0 CA-C-N 121.451 1.932 . . . . 0.0 114.363 170.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.402 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 65.0 m-20 -70.51 -38.44 74.29 Favored 'General case' 0 C--N 1.356 0.873 0 N-CA-C 114.615 1.339 . . . . 0.0 114.615 178.159 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -67.56 -47.9 68.51 Favored 'General case' 0 C--N 1.37 1.49 0 C-N-CA 128.29 2.636 . . . . 0.0 111.408 173.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.41 HD22 ' HE ' ' A' ' 24' ' ' ARG 0.301 15.5 mt -66.51 -34.78 78.68 Favored 'General case' 0 C--N 1.38 1.926 0 CA-C-O 117.092 -1.433 . . . . 0.0 113.016 173.17 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -58.98 -53.98 52.31 Favored 'General case' 0 C--N 1.375 1.68 0 CA-C-N 121.572 1.987 . . . . 0.0 113.37 168.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' A' ' 26' ' ' ASP . 2.7 tp -57.03 -37.93 72.44 Favored 'General case' 0 C--N 1.359 1.001 0 C-N-CA 128.013 2.525 . . . . 0.0 114.602 176.142 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.7 tt -67.7 -54.23 21.14 Favored 'General case' 0 C--N 1.37 1.493 0 C-N-CA 131.24 3.816 . . . . 0.0 111.32 175.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 34.0 mtp180 -66.13 -45.73 80.0 Favored 'General case' 0 C--N 1.357 0.919 0 C-N-CA 128.215 2.606 . . . . 0.0 116.45 177.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . 0.289 5.0 ptt180 -72.08 -51.21 22.61 Favored 'General case' 0 CA--C 1.472 -2.053 0 N-CA-C 117.248 2.314 . . . . 0.0 117.248 170.092 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -82.56 -32.93 28.28 Favored 'General case' 0 N--CA 1.438 -1.044 0 C-N-CA 118.268 -1.373 . . . . 0.0 114.178 -167.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -111.33 -40.56 4.37 Favored 'General case' 0 C--N 1.358 0.956 0 C-N-CA 125.693 1.597 . . . . 0.0 111.595 -174.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 78.31 -107.92 2.55 Favored Glycine 0 C--N 1.377 2.859 0 C-N-CA 127.861 2.648 . . . . 0.0 111.141 -168.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.8 p -124.56 108.29 11.93 Favored 'General case' 0 N--CA 1.442 -0.866 0 N-CA-C 104.053 -2.573 . . . . 0.0 104.053 171.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -147.8 150.3 33.96 Favored 'General case' 0 CA--C 1.509 -0.603 0 C-N-CA 125.48 1.512 . . . . 0.0 108.718 176.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.96 107.4 7.01 Favored 'General case' 0 C--N 1.366 1.319 0 CA-C-O 123.38 1.562 . . . . 0.0 110.25 172.13 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.4 p -147.95 144.85 19.05 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.896 0 N-CA-C 106.228 -1.767 . . . . 0.0 106.228 -172.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 65.3 t-80 -75.07 131.93 40.92 Favored 'General case' 0 C--N 1.357 0.933 0 C-N-CA 127.065 2.146 . . . . 0.0 111.627 -178.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -53.64 -39.69 65.22 Favored 'General case' 0 C--N 1.377 1.8 0 N-CA-C 115.539 1.681 . . . . 0.0 115.539 -176.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.261 36.0 m120 -58.06 -26.9 63.1 Favored 'General case' 0 C--N 1.365 1.26 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 172.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.42 ' HA ' ' ND2' ' A' ' 47' ' ' ASN . 6.9 mt -76.39 -42.49 36.24 Favored 'Isoleucine or valine' 0 C--N 1.369 1.43 0 C-N-CA 127.029 2.132 . . . . 0.0 112.019 172.369 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.1 m -73.32 -31.53 34.18 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.245 0 O-C-N 121.097 -1.002 . . . . 0.0 110.822 173.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.465 ' O ' HG12 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -66.24 -53.22 39.65 Favored 'General case' 0 C--N 1.388 2.265 0 C-N-CA 128.261 2.624 . . . . 0.0 110.571 172.659 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.42 ' ND2' ' HA ' ' A' ' 44' ' ' ILE . 15.2 p30 -63.72 -28.31 69.8 Favored 'General case' 0 C--N 1.386 2.19 0 C-N-CA 125.188 1.395 . . . . 0.0 113.534 177.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.62 -41.53 45.64 Favored 'General case' 0 C--N 1.368 1.404 0 CA-C-N 114.641 -1.163 . . . . 0.0 110.799 179.264 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -64.11 -52.44 59.17 Favored 'General case' 0 C--N 1.367 1.341 0 C-N-CA 129.971 3.308 . . . . 0.0 112.023 172.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.465 HG12 ' O ' ' A' ' 46' ' ' TYR . 2.9 pt -77.55 -17.55 14.21 Favored 'Isoleucine or valine' 0 C--N 1.357 0.909 0 N-CA-C 118.436 2.754 . . . . 0.0 118.436 -177.191 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.0 t -78.89 55.99 1.84 Allowed 'General case' 0 CA--C 1.564 1.516 0 O-C-N 120.28 -1.513 . . . . 0.0 110.318 171.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 49.5 m-70 -154.59 -170.01 3.39 Favored 'General case' 0 CA--C 1.545 0.787 2 C-N-CA 133.976 4.91 . . . . 0.0 99.656 -174.579 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.7 -40.38 96.96 Favored 'General case' 0 C--N 1.367 1.342 0 O-C-N 118.313 -2.742 . . . . 0.0 117.733 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -61.4 12.76 0.01 OUTLIER 'General case' 0 N--CA 1.444 -0.755 2 C-N-CA 136.167 5.787 . . . . 0.0 122.305 -170.261 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . 0.326 4.9 t-160 -35.95 56.21 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.893 1 N-CA-C 124.577 5.028 . . . . 0.0 124.577 -175.606 . . . . . . . . 3 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 96.7 mt -91.34 104.39 15.44 Favored 'Isoleucine or valine' 0 C--N 1.355 0.84 0 C-N-CA 131.672 3.989 . . . . 0.0 106.798 172.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -91.73 -176.54 4.5 Favored 'General case' 0 CA--C 1.518 -0.272 0 O-C-N 120.368 -1.458 . . . . 0.0 109.795 -179.187 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 12.3 tpp -62.38 -10.15 10.45 Favored 'General case' 0 C--N 1.378 1.838 0 O-C-N 118.695 -2.503 . . . . 0.0 114.122 174.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -86.04 -1.94 57.84 Favored 'General case' 0 N--CA 1.424 -1.755 1 C-N-CA 133.438 4.695 . . . . 0.0 112.794 178.124 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -117.4 20.3 13.66 Favored 'General case' 0 C--N 1.368 1.398 0 C-N-CA 126.66 1.984 . . . . 0.0 113.19 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . 0.29 4.7 t -148.41 172.26 14.72 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.846 1.258 . . . . 0.0 110.295 -177.159 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -80.73 -1.27 42.02 Favored 'General case' 0 C--N 1.374 1.65 0 N-CA-C 117.153 2.279 . . . . 0.0 117.153 -173.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 1.5 m-90 -99.45 108.82 21.38 Favored 'General case' 0 C--N 1.353 0.733 0 C-N-CA 127.421 2.288 . . . . 0.0 106.127 176.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -79.03 -37.68 38.48 Favored 'General case' 0 C--N 1.36 1.038 0 CA-C-O 122.991 1.376 . . . . 0.0 112.367 -177.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 78.4 p -103.24 167.63 9.7 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 125.624 1.57 . . . . 0.0 107.288 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.9 tp -71.44 -34.63 70.43 Favored 'General case' 0 C--N 1.364 1.232 0 O-C-N 120.177 -1.577 . . . . 0.0 112.588 176.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 26.1 m -57.31 -38.76 74.52 Favored 'General case' 0 C--N 1.359 0.985 0 C-N-CA 131.526 3.93 . . . . 0.0 111.894 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -72.09 -30.49 65.15 Favored 'General case' 0 C--N 1.363 1.155 0 N-CA-C 115.658 1.725 . . . . 0.0 115.658 174.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -73.19 -35.11 66.32 Favored 'General case' 0 C--N 1.373 1.609 0 C-N-CA 124.799 1.24 . . . . 0.0 110.019 172.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . 0.361 0.7 OUTLIER -71.78 -34.35 69.35 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 125.978 1.711 . . . . 0.0 112.885 177.149 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.644 ' HA ' ' HZ2' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -62.15 -45.19 94.52 Favored 'General case' 0 C--N 1.374 1.668 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 167.184 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . 0.4 ' CE2' ' HE2' ' A' ' 16' ' ' MET . 79.8 t90 -76.14 -48.54 20.22 Favored 'General case' 0 C--N 1.366 1.308 0 C-N-CA 125.384 1.473 . . . . 0.0 112.461 -177.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . 0.598 0.2 OUTLIER -65.67 -34.08 77.39 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 128.678 2.791 . . . . 0.0 116.652 177.754 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -59.47 -28.05 64.32 Favored Glycine 0 C--N 1.342 0.881 0 C-N-CA 129.041 3.21 . . . . 0.0 117.207 163.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -82.26 -39.9 22.33 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 126.831 2.053 . . . . 0.0 116.361 -176.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -76.16 -17.88 59.36 Favored 'General case' 0 C--N 1.356 0.881 0 C-N-CA 126.173 1.789 . . . . 0.0 114.905 -172.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.58 23.71 45.78 Favored Glycine 0 C--N 1.354 1.582 0 C-N-CA 120.305 -0.95 . . . . 0.0 115.129 179.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.424 ' HB2' HH21 ' A' ' 24' ' ' ARG . 0.5 OUTLIER -102.28 -33.15 9.71 Favored 'General case' 0 C--O 1.211 -0.929 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 171.519 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.474 ' HG ' HH21 ' A' ' 24' ' ' ARG . 5.0 m -136.72 138.34 40.89 Favored 'General case' 0 C--N 1.36 1.047 0 CA-C-N 122.46 2.391 . . . . 0.0 115.909 178.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -107.18 123.39 48.2 Favored 'General case' 0 C--N 1.37 1.475 0 CA-C-N 120.313 1.415 . . . . 0.0 111.998 178.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -99.58 156.84 3.91 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.123 0 O-C-N 118.82 -2.425 . . . . 0.0 116.955 -170.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -145.71 149.37 34.31 Favored 'General case' 0 C--N 1.358 0.948 0 CA-C-N 111.953 -2.385 . . . . 0.0 109.395 177.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -121.07 139.51 53.22 Favored 'General case' 0 C--N 1.365 1.263 0 O-C-N 120.224 -1.548 . . . . 0.0 110.313 177.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 33.3 p -120.33 176.22 1.93 Allowed Pre-proline 0 CA--C 1.497 -1.069 0 C-N-CA 129.903 3.281 . . . . 0.0 109.511 -178.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -69.16 -3.69 12.11 Favored 'Trans proline' 0 N--CA 1.44 -1.629 0 N-CA-C 118.297 2.383 . . . . 0.0 118.297 166.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -111.89 -6.33 14.26 Favored 'General case' 0 C--N 1.364 1.214 0 CA-C-N 120.634 1.561 . . . . 0.0 112.684 -177.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 152.27 -162.97 30.07 Favored Glycine 0 C--N 1.362 2.003 0 O-C-N 120.716 -1.24 . . . . 0.0 114.98 -176.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 19.0 m95 -109.4 115.26 29.62 Favored 'General case' 0 C--N 1.359 1.016 0 C-N-CA 127.311 2.244 . . . . 0.0 109.525 177.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -107.93 143.2 36.9 Favored 'General case' 0 C--N 1.362 1.113 0 C-N-CA 128.282 2.633 . . . . 0.0 107.491 -177.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 8.6 pt -125.93 137.41 57.8 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.057 0 N-CA-C 105.973 -1.862 . . . . 0.0 105.973 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . 0.288 16.4 pt20 -119.7 111.39 17.97 Favored 'General case' 0 N--CA 1.427 -1.585 0 N-CA-C 103.679 -2.712 . . . . 0.0 103.679 171.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . 0.503 19.7 t80 -59.43 147.99 34.42 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 127.993 2.517 . . . . 0.0 114.829 -175.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.9 mt -90.92 115.38 30.01 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.059 0 C-N-CA 130.666 3.586 . . . . 0.0 102.5 177.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . 0.266 1.2 p30 -63.48 -9.36 12.45 Favored 'General case' 0 C--N 1.355 0.824 0 N-CA-C 121.48 3.882 . . . . 0.0 121.48 -169.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . 0.312 28.6 mmm180 65.48 -101.01 0.07 Allowed 'General case' 0 C--N 1.347 0.484 0 C-N-CA 129.328 3.051 . . . . 0.0 110.752 177.519 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -103.34 107.5 55.95 Favored Pre-proline 0 CA--C 1.519 -0.238 0 CA-C-O 113.709 -3.043 . . . . 0.0 105.941 159.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.83 -15.11 30.54 Favored 'Trans proline' 0 C--N 1.357 1.011 1 CA-C-N 128.493 4.069 . . . . 0.0 118.043 -176.223 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -66.5 -25.78 66.85 Favored 'General case' 0 C--N 1.367 1.347 0 CA-C-N 120.362 1.437 . . . . 0.0 109.815 167.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -60.99 -36.4 79.35 Favored 'General case' 0 C--N 1.372 1.583 0 O-C-N 119.639 -1.913 . . . . 0.0 113.217 171.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.7 mm -73.9 -50.5 28.6 Favored 'Isoleucine or valine' 0 C--N 1.366 1.295 0 C-N-CA 130.824 3.65 . . . . 0.0 110.755 177.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -70.23 -40.28 74.57 Favored 'General case' 0 C--N 1.36 1.051 0 C-N-CA 126.816 2.047 . . . . 0.0 110.89 -177.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 -69.62 -25.77 64.11 Favored 'General case' 0 C--N 1.371 1.519 0 O-C-N 120.524 -1.36 . . . . 0.0 111.36 169.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . 0.418 22.9 mt-30 -72.99 -43.24 62.41 Favored 'General case' 0 C--N 1.367 1.344 0 N-CA-C 116.692 2.108 . . . . 0.0 116.692 172.079 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.21 -40.91 23.12 Favored 'General case' 0 C--N 1.351 0.662 0 O-C-N 119.928 -1.732 . . . . 0.0 112.671 178.123 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 78.1 mt-10 . . . . . 0 C--N 1.364 1.196 0 N-CA-C 117.021 2.23 . . . . 0.0 117.021 -175.809 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 7.2 tpt . . . . . 0 CA--C 1.495 -1.16 0 CA-C-O 121.598 0.714 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -52.04 -44.78 64.38 Favored 'General case' 0 C--N 1.363 1.16 0 C-N-CA 128.585 2.754 . . . . 0.0 115.226 176.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -69.79 -51.97 29.25 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 125.167 1.387 . . . . 0.0 113.913 174.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -70.93 -37.12 72.89 Favored 'General case' 0 C--N 1.366 1.307 0 C-N-CA 125.232 1.413 . . . . 0.0 113.378 -178.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . 0.307 88.3 p -72.57 -31.71 65.46 Favored 'General case' 0 C--N 1.369 1.423 0 C-N-CA 124.841 1.256 . . . . 0.0 112.933 172.041 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -70.92 -48.71 52.11 Favored 'General case' 0 C--N 1.369 1.423 0 CA-C-N 121.01 1.732 . . . . 0.0 113.482 168.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -63.47 -41.54 98.59 Favored 'General case' 0 C--N 1.379 1.888 0 C-N-CA 125.801 1.64 . . . . 0.0 113.676 178.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.401 ' CZ ' ' CE1' ' A' ' 46' ' ' TYR . 21.3 t80 -73.39 -52.72 12.79 Favored 'General case' 0 C--N 1.358 0.953 0 C-N-CA 124.45 1.1 . . . . 0.0 113.005 169.159 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.481 HH11 HD13 ' A' ' 28' ' ' LEU . 16.5 ttp85 -66.97 -43.93 81.81 Favored 'General case' 0 C--N 1.363 1.196 0 CA-C-N 123.26 2.754 . . . . 0.0 116.076 -177.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -60.02 -49.92 75.75 Favored 'General case' 0 C--N 1.371 1.507 0 CA-C-N 122.458 2.39 . . . . 0.0 114.798 176.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -76.5 -34.07 58.62 Favored 'General case' 0 C--N 1.362 1.12 0 C-N-CA 127.476 2.31 . . . . 0.0 115.382 176.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -71.81 -42.49 66.96 Favored 'General case' 0 C--N 1.366 1.321 0 C-N-CA 125.406 1.483 . . . . 0.0 111.006 173.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.481 HD13 HH11 ' A' ' 24' ' ' ARG . 9.3 mt -67.08 -38.79 86.36 Favored 'General case' 0 C--N 1.379 1.871 0 C-N-CA 126.418 1.887 . . . . 0.0 111.726 178.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.09 -51.62 65.81 Favored 'General case' 0 C--N 1.359 0.994 0 C-N-CA 129.393 3.077 . . . . 0.0 113.004 172.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -76.2 -34.42 59.28 Favored 'General case' 0 C--N 1.363 1.194 0 C-N-CA 128.161 2.584 . . . . 0.0 114.538 178.094 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 tt -60.08 -50.74 72.51 Favored 'General case' 0 C--N 1.368 1.37 0 C-N-CA 131.091 3.756 . . . . 0.0 109.657 173.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.0 mtp180 -61.0 -44.03 98.01 Favored 'General case' 0 C--N 1.366 1.324 0 C-N-CA 128.311 2.645 . . . . 0.0 115.462 170.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . 0.38 1.7 ptp85 -73.29 -53.73 10.12 Favored 'General case' 0 C--N 1.38 1.924 0 N-CA-C 118.644 2.831 . . . . 0.0 118.644 170.001 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 24.6 mmt85 -82.48 -31.01 29.55 Favored 'General case' 0 C--N 1.353 0.728 0 N-CA-C 113.977 1.103 . . . . 0.0 113.977 -165.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -111.71 -35.34 5.78 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.494 1.518 . . . . 0.0 110.378 -177.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.44 -100.2 1.78 Allowed Glycine 0 C--N 1.387 3.371 0 C-N-CA 127.783 2.611 . . . . 0.0 109.327 -173.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.43 HG23 ' CD1' ' A' ' 92' ' ' TYR . 23.6 p -134.26 108.02 8.0 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 100.574 -3.862 . . . . 0.0 100.574 166.368 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.8 ttmt -150.0 142.58 24.49 Favored 'General case' 0 CA--C 1.501 -0.941 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.33 109.68 4.85 Favored 'General case' 0 C--N 1.354 0.783 0 C-N-CA 126.941 2.096 . . . . 0.0 112.452 173.498 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.4 p -150.56 155.18 7.75 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.083 0 N-CA-C 104.686 -2.339 . . . . 0.0 104.686 -173.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -86.54 132.73 33.84 Favored 'General case' 0 C--N 1.369 1.421 0 CA-C-O 125.488 2.566 . . . . 0.0 108.913 177.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.404 ' CB ' HD23 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -53.88 -30.9 47.83 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 128.144 2.578 . . . . 0.0 116.59 -178.539 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.01 -27.59 66.69 Favored 'General case' 0 C--N 1.358 0.937 0 C-N-CA 126.111 1.765 . . . . 0.0 110.812 176.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.8 mt -74.57 -44.51 47.05 Favored 'Isoleucine or valine' 0 C--N 1.369 1.442 0 O-C-N 120.226 -1.546 . . . . 0.0 110.734 169.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . 0.252 1.9 m -70.44 -36.05 64.75 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.325 0 C-N-CA 126.22 1.808 . . . . 0.0 113.987 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.437 ' O ' HG12 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -62.56 -50.92 69.4 Favored 'General case' 0 C--N 1.384 2.084 0 C-N-CA 129.111 2.964 . . . . 0.0 111.199 173.504 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -63.51 -27.17 69.08 Favored 'General case' 0 C--N 1.358 0.963 0 C-N-CA 129.507 3.123 . . . . 0.0 112.619 175.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -78.25 -38.08 43.67 Favored 'General case' 0 C--N 1.361 1.072 0 C-N-CA 124.524 1.13 . . . . 0.0 112.574 172.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -65.58 -45.84 81.71 Favored 'General case' 0 C--N 1.359 1.006 0 C-N-CA 129.954 3.302 . . . . 0.0 113.927 175.336 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.437 HG12 ' O ' ' A' ' 46' ' ' TYR . 2.6 pt -77.14 -20.6 14.36 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.751 0 N-CA-C 120.198 3.407 . . . . 0.0 120.198 -175.206 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.2 t -74.01 50.24 0.36 Allowed 'General case' 0 CA--C 1.565 1.547 0 O-C-N 119.75 -1.844 . . . . 0.0 112.977 176.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 -150.95 -162.74 1.61 Allowed 'General case' 0 N--CA 1.442 -0.841 1 C-N-CA 133.47 4.708 . . . . 0.0 104.159 -169.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.72 -37.47 76.53 Favored 'General case' 0 C--N 1.369 1.431 0 N-CA-C 116.116 1.895 . . . . 0.0 116.116 176.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -69.19 11.47 0.22 Allowed 'General case' 0 CA--C 1.502 -0.88 1 C-N-CA 133.614 4.766 . . . . 0.0 120.208 -168.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . 0.323 31.7 t-80 -43.11 92.9 0.01 OUTLIER 'General case' 0 C--N 1.361 1.07 0 N-CA-C 119.253 3.057 . . . . 0.0 119.253 -178.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 76.7 mt -124.63 152.54 30.79 Favored 'Isoleucine or valine' 0 C--N 1.354 0.783 1 C-N-CA 131.913 4.085 . . . . 0.0 106.242 179.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.559 ' CG ' HD21 ' A' ' 59' ' ' ASN . 3.7 t-160 -114.82 149.47 37.0 Favored 'General case' 0 C--N 1.347 0.469 0 N-CA-C 103.746 -2.687 . . . . 0.0 103.746 168.157 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -51.76 -22.28 3.45 Favored 'General case' 0 C--N 1.378 1.819 0 N-CA-C 118.245 2.683 . . . . 0.0 118.245 -176.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.559 HD21 ' CG ' ' A' ' 57' ' ' HIS . 21.8 m-80 -69.6 -22.1 63.53 Favored 'General case' 0 N--CA 1.428 -1.557 1 C-N-CA 132.737 4.415 . . . . 0.0 111.118 -178.344 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -80.18 30.94 0.27 Allowed 'General case' 0 C--N 1.384 2.108 0 C-N-CA 127.655 2.382 . . . . 0.0 116.391 173.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 30.8 p -129.26 -154.23 0.62 Allowed 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 126.483 1.913 . . . . 0.0 111.893 -171.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -116.68 10.01 14.22 Favored 'General case' 0 C--N 1.373 1.59 0 CA-C-O 124.06 1.886 . . . . 0.0 109.769 171.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 3.0 m0 -98.4 106.18 18.42 Favored 'General case' 0 N--CA 1.435 -1.221 0 C-N-CA 128.323 2.649 . . . . 0.0 105.656 178.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -77.34 -7.26 55.76 Favored 'General case' 0 C--N 1.364 1.236 0 C-N-CA 127.436 2.295 . . . . 0.0 114.921 -175.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.1 t -163.46 161.08 24.03 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 100.233 -3.988 . . . . 0.0 100.233 -178.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.404 HD23 ' CB ' ' A' ' 42' ' ' ASN . 4.3 tp -56.92 -34.16 67.69 Favored 'General case' 0 C--N 1.369 1.415 0 C-N-CA 127.221 2.208 . . . . 0.0 114.199 -176.471 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.463 HG21 ' CZ2' ' A' ' 88' ' ' TRP . 44.5 m -55.86 -41.29 74.13 Favored 'General case' 0 C--N 1.359 1.015 0 C-N-CA 130.567 3.547 . . . . 0.0 112.893 -177.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -71.42 -27.36 63.24 Favored 'General case' 0 C--N 1.354 0.766 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 177.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -70.04 -38.61 75.89 Favored 'General case' 0 C--N 1.372 1.555 0 CA-C-O 123.515 1.626 . . . . 0.0 110.037 170.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.69 -33.59 71.07 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 126.306 1.842 . . . . 0.0 112.211 178.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.649 ' HA ' ' HZ2' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -65.54 -39.21 91.48 Favored 'General case' 0 C--N 1.378 1.813 0 C-N-CA 124.809 1.244 . . . . 0.0 114.198 168.074 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 70.7 t90 -76.02 -55.63 5.42 Favored 'General case' 0 C--N 1.368 1.374 0 C-N-CA 126.151 1.781 . . . . 0.0 112.417 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . 0.421 0.0 OUTLIER -65.32 -35.05 79.8 Favored 'General case' 0 C--N 1.352 0.682 0 C-N-CA 126.743 2.017 . . . . 0.0 114.775 178.562 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -61.24 -30.57 74.3 Favored Glycine 0 C--N 1.371 2.482 0 C-N-CA 126.785 2.136 . . . . 0.0 114.625 163.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -83.25 -31.82 26.77 Favored 'General case' 0 C--N 1.364 1.225 0 C-N-CA 126.389 1.876 . . . . 0.0 114.57 177.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -79.05 -7.07 57.82 Favored 'General case' 0 C--N 1.367 1.339 0 O-C-N 120.667 -1.271 . . . . 0.0 112.82 176.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 84.4 34.04 18.04 Favored Glycine 0 C--N 1.358 1.769 0 C-N-CA 124.485 1.04 . . . . 0.0 113.963 178.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.47 4.85 15.38 Favored 'General case' 0 C--N 1.365 1.25 0 CA-C-O 123.042 1.401 . . . . 0.0 108.777 176.464 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.465 ' SG ' ' HB ' ' A' ' 90' ' ' ILE . 26.3 t -154.62 152.53 30.11 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 116.638 2.088 . . . . 0.0 116.638 174.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 63.3 mttt -114.81 110.45 19.72 Favored 'General case' 0 N--CA 1.431 -1.415 1 C-N-CA 131.856 4.062 . . . . 0.0 104.842 168.628 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -112.43 146.88 16.63 Favored 'Isoleucine or valine' 0 C--N 1.352 0.716 0 O-C-N 118.73 -2.481 . . . . 0.0 112.976 -172.437 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -143.87 154.44 43.37 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 125.138 1.375 . . . . 0.0 111.723 175.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 77.6 tt0 -124.76 139.84 53.48 Favored 'General case' 0 C--N 1.369 1.445 0 O-C-N 119.828 -1.795 . . . . 0.0 111.51 179.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 61.7 p -119.21 176.81 1.55 Allowed Pre-proline 0 C--N 1.357 0.898 0 C-N-CA 130.969 3.708 . . . . 0.0 110.546 -178.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -69.95 -8.37 23.44 Favored 'Trans proline' 0 N--CA 1.442 -1.531 0 N-CA-C 118.206 2.349 . . . . 0.0 118.206 166.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.95 -6.1 14.26 Favored 'General case' 0 C--N 1.365 1.266 0 CA-C-N 121.596 1.998 . . . . 0.0 112.64 -178.526 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 156.16 -177.49 33.17 Favored Glycine 0 C--N 1.358 1.773 0 O-C-N 120.23 -1.544 . . . . 0.0 114.642 -177.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.463 ' CZ2' HG21 ' A' ' 67' ' ' THR . 9.2 m95 -93.37 107.39 19.23 Favored 'General case' 0 C--N 1.359 1.006 0 C-N-CA 129.32 3.048 . . . . 0.0 110.322 178.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -102.19 126.17 49.09 Favored 'General case' 0 C--N 1.355 0.813 0 N-CA-C 105.734 -1.95 . . . . 0.0 105.734 -178.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.465 ' HB ' ' SG ' ' A' ' 79' ' ' CYS . 1.0 OUTLIER -115.22 136.01 53.34 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.668 0 N-CA-C 103.525 -2.768 . . . . 0.0 103.525 -174.495 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -128.54 113.92 16.09 Favored 'General case' 0 CA--C 1.486 -1.518 1 N-CA-C 98.051 -4.796 . . . . 0.0 98.051 179.697 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.43 ' CD1' HG23 ' A' ' 37' ' ' THR 0.547 0.0 OUTLIER -72.98 147.99 44.66 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.569 1.148 . . . . 0.0 111.64 -178.038 . . . . . . . . 4 4 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -86.71 119.27 34.37 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.071 0 C-N-CA 128.007 2.523 . . . . 0.0 105.833 -177.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . 0.269 4.5 p-10 -76.62 97.92 4.55 Favored 'General case' 0 C--N 1.362 1.139 0 CA-C-N 120.734 1.606 . . . . 0.0 112.282 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . 0.256 25.1 mmm180 -43.35 -77.17 0.02 OUTLIER 'General case' 0 C--N 1.359 1.005 1 C-N-CA 131.704 4.001 . . . . 0.0 114.263 -178.796 . . . . . . . . 3 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -102.97 133.2 20.49 Favored Pre-proline 0 CA--C 1.537 0.459 0 CA-C-O 113.663 -3.065 . . . . 0.0 104.655 153.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -68.98 -18.95 40.47 Favored 'Trans proline' 0 C--N 1.36 1.139 2 CA-C-N 129.706 4.502 . . . . 0.0 112.846 174.352 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -67.33 -28.4 67.95 Favored 'General case' 0 C--N 1.364 1.229 0 C-N-CA 124.7 1.2 . . . . 0.0 110.967 168.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.403 ' O ' ' HB2' ' A' ' 103' ' ' GLN 0.297 0.5 OUTLIER -65.39 -34.57 78.61 Favored 'General case' 0 C--N 1.373 1.625 0 O-C-N 119.637 -1.915 . . . . 0.0 112.992 175.366 . . . . . . . . 4 4 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.7 mp -73.28 -51.0 27.61 Favored 'Isoleucine or valine' 0 C--N 1.376 1.726 0 C-N-CA 130.675 3.59 . . . . 0.0 110.466 173.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 43.3 mtp-105 -67.68 -38.58 83.93 Favored 'General case' 0 C--N 1.369 1.445 0 O-C-N 120.01 -1.681 . . . . 0.0 112.656 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 8.4 mmt180 -73.1 -22.7 60.51 Favored 'General case' 0 C--N 1.372 1.578 0 C-N-CA 125.765 1.626 . . . . 0.0 110.251 171.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.403 ' HB2' ' O ' ' A' ' 99' ' ' THR 0.271 0.0 OUTLIER -69.4 -54.95 11.86 Favored 'General case' 0 C--N 1.363 1.172 0 N-CA-C 115.306 1.595 . . . . 0.0 115.306 170.504 . . . . . . . . 4 4 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.27 -43.1 43.25 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 125.391 1.476 . . . . 0.0 114.874 -177.353 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 . . . . . 0 C--N 1.367 1.357 0 N-CA-C 116.391 1.997 . . . . 0.0 116.391 -174.687 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.411 ' HE1' ' CZ2' ' A' ' 63' ' ' TRP . 1.0 OUTLIER . . . . . 0 N--CA 1.483 1.195 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -56.07 -52.48 64.12 Favored 'General case' 0 C--N 1.368 1.371 0 C-N-CA 127.373 2.269 . . . . 0.0 113.251 171.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -70.97 -52.7 18.22 Favored 'General case' 0 C--N 1.366 1.288 0 N-CA-C 116.052 1.871 . . . . 0.0 116.052 172.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.369 63.0 m-85 -73.6 -33.81 64.76 Favored 'General case' 0 C--N 1.374 1.672 0 CA-C-N 120.076 1.307 . . . . 0.0 113.486 -175.185 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.3 t -73.24 -31.27 64.02 Favored 'General case' 0 C--N 1.378 1.836 0 O-C-N 121.028 -1.045 . . . . 0.0 113.431 168.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -70.94 -48.98 50.43 Favored 'General case' 0 C--N 1.372 1.568 0 CA-C-N 121.934 2.152 . . . . 0.0 113.497 171.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -65.87 -41.11 92.03 Favored 'General case' 0 C--N 1.372 1.568 0 C-N-CA 125.379 1.472 . . . . 0.0 113.442 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.434 ' CZ ' ' CE2' ' A' ' 46' ' ' TYR . 11.0 t80 -73.4 -53.94 9.51 Favored 'General case' 0 C--N 1.366 1.308 0 O-C-N 121.118 -0.989 . . . . 0.0 112.754 168.466 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.3 36.6 ttp85 -70.43 -35.48 73.42 Favored 'General case' 0 C--N 1.368 1.392 0 N-CA-C 119.563 3.172 . . . . 0.0 119.563 -175.423 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -62.95 -51.12 68.11 Favored 'General case' 0 C--N 1.379 1.855 0 CA-C-N 122.238 2.29 . . . . 0.0 113.307 176.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -69.59 -44.24 71.19 Favored 'General case' 0 C--N 1.358 0.947 0 C-N-CA 128.356 2.663 . . . . 0.0 113.704 174.094 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -63.48 -46.59 85.47 Favored 'General case' 0 C--N 1.368 1.408 0 C-N-CA 126.212 1.805 . . . . 0.0 113.122 175.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.8 mp -66.29 -35.84 81.42 Favored 'General case' 0 C--N 1.382 2.005 0 CA-C-N 121.227 1.83 . . . . 0.0 112.588 175.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -59.65 -53.21 60.68 Favored 'General case' 0 C--N 1.363 1.194 0 C-N-CA 126.9 2.08 . . . . 0.0 113.298 172.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.431 HD23 ' HG2' ' A' ' 48' ' ' GLU . 0.4 OUTLIER -64.96 -37.52 87.93 Favored 'General case' 0 C--N 1.358 0.953 0 C-N-CA 129.077 2.951 . . . . 0.0 115.507 178.088 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 tt -64.41 -51.26 64.08 Favored 'General case' 0 C--N 1.374 1.642 0 C-N-CA 131.316 3.846 . . . . 0.0 109.507 171.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.4 mtm180 -62.95 -46.73 86.38 Favored 'General case' 0 C--N 1.362 1.14 0 N-CA-C 116.016 1.858 . . . . 0.0 116.016 174.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . 0.322 13.6 ptt180 -72.58 -53.67 11.29 Favored 'General case' 0 CA--C 1.494 -1.207 0 N-CA-C 119.819 3.266 . . . . 0.0 119.819 172.453 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.451 HH21 ' HG2' ' A' ' 48' ' ' GLU . 9.7 mtm180 -83.12 -20.5 34.71 Favored 'General case' 0 C--N 1.357 0.919 0 N-CA-C 114.57 1.322 . . . . 0.0 114.57 -171.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -120.7 -35.64 3.33 Favored 'General case' 0 C--N 1.358 0.97 0 C-N-CA 125.216 1.406 . . . . 0.0 112.996 -176.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 72.67 -117.0 5.93 Favored Glycine 0 C--N 1.396 3.862 0 O-C-N 119.135 -2.228 . . . . 0.0 111.163 -165.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.448 HG23 ' CD2' ' A' ' 92' ' ' TYR . 27.4 p -122.85 108.19 12.73 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 101.731 -3.433 . . . . 0.0 101.731 169.39 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -140.56 143.12 35.17 Favored 'General case' 0 CA--C 1.505 -0.751 0 C-N-CA 124.54 1.136 . . . . 0.0 109.715 178.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.34 108.14 11.46 Favored 'General case' 0 C--N 1.362 1.145 0 CA-C-O 124.615 2.15 . . . . 0.0 110.307 170.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.2 p -143.74 156.46 16.22 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.107 0 C-N-CA 128.115 2.566 . . . . 0.0 104.308 -167.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -83.66 141.38 31.54 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 120.021 -1.675 . . . . 0.0 110.762 178.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -63.43 -28.14 69.77 Favored 'General case' 0 C--N 1.363 1.184 0 N-CA-C 116.79 2.144 . . . . 0.0 116.79 -177.466 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.469 ' O ' ' HB3' ' A' ' 47' ' ' ASN . 4.2 t-20 -63.68 -49.36 73.46 Favored 'General case' 0 C--N 1.373 1.589 0 C-N-CA 126.312 1.845 . . . . 0.0 108.619 170.167 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.258 4.4 mt -54.27 -42.05 55.18 Favored 'Isoleucine or valine' 0 C--N 1.365 1.274 0 CA-C-N 121.587 1.994 . . . . 0.0 116.244 172.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.0 m -71.86 -39.65 67.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 O-C-N 120.589 -1.319 . . . . 0.0 112.044 174.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.434 ' CE2' ' CZ ' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -65.06 -51.31 62.19 Favored 'General case' 0 C--N 1.384 2.07 0 C-N-CA 127.46 2.304 . . . . 0.0 111.427 175.638 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.469 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -59.22 -30.1 68.0 Favored 'General case' 0 C--N 1.367 1.351 0 C-N-CA 130.378 3.471 . . . . 0.0 113.793 176.402 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.451 ' HG2' HH21 ' A' ' 34' ' ' ARG . 22.5 tt0 -81.3 -45.48 16.15 Favored 'General case' 0 C--N 1.364 1.215 0 C-N-CA 126.003 1.721 . . . . 0.0 111.261 177.388 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.446 ' CE2' ' CG2' ' A' ' 50' ' ' ILE . 0.2 OUTLIER -57.21 -45.52 83.72 Favored 'General case' 0 C--N 1.37 1.482 0 C-N-CA 129.565 3.146 . . . . 0.0 113.298 176.401 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.446 ' CG2' ' CE2' ' A' ' 49' ' ' TYR . 9.5 pt -80.26 -1.38 4.66 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.614 0 N-CA-C 121.058 3.725 . . . . 0.0 121.058 -176.279 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.9 t -84.41 8.34 16.6 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 119.623 1.101 . . . . 0.0 112.736 175.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 69.3 m-70 -98.84 -155.11 0.49 Allowed 'General case' 0 CA--C 1.553 1.083 1 C-N-CA 132.395 4.278 . . . . 0.0 106.595 174.1 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.69 -40.72 84.37 Favored 'General case' 0 C--N 1.369 1.451 0 O-C-N 118.152 -2.842 . . . . 0.0 116.854 179.667 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -63.61 11.75 0.03 OUTLIER 'General case' 0 CA--C 1.498 -1.048 1 C-N-CA 135.912 5.685 . . . . 0.0 121.224 -169.285 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.408 ' HD2' ' HB ' ' A' ' 50' ' ' ILE 0.304 30.0 t-80 -47.57 102.74 0.03 OUTLIER 'General case' 0 C--N 1.367 1.351 0 C-N-CA 127.378 2.271 . . . . 0.0 117.085 -178.451 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 37.3 mt -134.22 162.46 39.07 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.054 1 C-N-CA 133.919 4.888 . . . . 0.0 100.879 -177.464 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -134.68 154.23 51.63 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 102.629 -3.1 . . . . 0.0 102.629 165.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.68 -13.76 0.28 Allowed 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 119.878 3.288 . . . . 0.0 119.878 -172.535 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -85.68 -20.26 29.66 Favored 'General case' 0 N--CA 1.417 -2.107 1 C-N-CA 132.574 4.35 . . . . 0.0 109.735 -173.551 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -92.65 46.65 1.25 Allowed 'General case' 0 C--N 1.381 1.972 0 C-N-CA 130.585 3.554 . . . . 0.0 113.567 175.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . 0.297 10.1 t -162.75 -171.74 2.83 Favored 'General case' 0 C--N 1.356 0.881 0 O-C-N 121.657 -0.652 . . . . 0.0 110.538 -174.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -73.97 -26.1 60.29 Favored 'General case' 0 C--N 1.364 1.213 0 C-N-CA 126.694 1.998 . . . . 0.0 116.169 -175.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.411 ' CZ2' ' HE1' ' A' ' 16' ' ' MET . 0.9 OUTLIER -92.79 117.33 29.9 Favored 'General case' 0 N--CA 1.438 -1.032 0 C-N-CA 126.119 1.768 . . . . 0.0 109.633 -177.327 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -68.7 -49.18 60.97 Favored 'General case' 0 C--N 1.364 1.232 0 C-N-CA 125.033 1.333 . . . . 0.0 114.047 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 67.7 p -105.36 157.47 17.31 Favored 'General case' 0 C--N 1.35 0.623 0 C-N-CA 126.437 1.895 . . . . 0.0 106.144 -178.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.6 tp -66.7 -28.15 68.21 Favored 'General case' 0 C--N 1.37 1.47 0 O-C-N 119.082 -2.262 . . . . 0.0 112.943 178.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.488 HG21 ' CZ2' ' A' ' 88' ' ' TRP . 33.1 m -58.21 -40.54 81.87 Favored 'General case' 0 C--N 1.36 1.039 1 C-N-CA 133.163 4.585 . . . . 0.0 110.785 176.943 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -72.76 -29.61 63.46 Favored 'General case' 0 C--N 1.357 0.91 0 N-CA-C 116.903 2.186 . . . . 0.0 116.903 172.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.41 ' CZ ' HD21 ' A' ' 73' ' ' LEU . 49.7 t80 -72.78 -34.88 67.23 Favored 'General case' 0 C--N 1.373 1.589 0 C-N-CA 125.143 1.377 . . . . 0.0 109.757 172.089 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . 0.293 0.8 OUTLIER -72.0 -37.66 69.79 Favored 'General case' 0 C--N 1.357 0.905 0 C-N-CA 126.437 1.895 . . . . 0.0 110.838 175.043 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.0 mmtt -63.17 -38.62 91.89 Favored 'General case' 0 C--N 1.378 1.817 0 N-CA-C 115.806 1.78 . . . . 0.0 115.806 167.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 86.7 t90 -80.57 -51.29 8.92 Favored 'General case' 0 C--N 1.361 1.099 0 C-N-CA 124.719 1.208 . . . . 0.0 113.537 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.508 ' HG ' ' HG ' ' A' ' 79' ' ' CYS . 0.5 OUTLIER -65.54 -35.29 80.42 Favored 'General case' 0 C--N 1.361 1.088 0 C-N-CA 127.542 2.337 . . . . 0.0 115.693 179.141 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -63.61 -27.73 71.42 Favored Glycine 0 C--N 1.364 2.13 0 C-N-CA 127.405 2.431 . . . . 0.0 113.666 167.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -82.17 -18.3 43.24 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 126.55 1.94 . . . . 0.0 115.916 179.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -76.77 -20.93 55.91 Favored 'General case' 0 C--N 1.352 0.691 0 O-C-N 120.719 -1.238 . . . . 0.0 113.26 178.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.66 20.97 41.85 Favored Glycine 0 C--N 1.373 2.637 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 -172.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.4 mt -101.06 -42.13 6.5 Favored 'General case' 0 CA--C 1.471 -2.072 0 C-N-CA 125.343 1.457 . . . . 0.0 111.307 175.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.508 ' HG ' ' HG ' ' A' ' 73' ' ' LEU . 14.3 m -123.53 156.64 35.27 Favored 'General case' 0 C--O 1.225 -0.191 0 N-CA-C 117.141 2.274 . . . . 0.0 117.141 -178.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 45.7 mttt -114.69 142.89 45.89 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 130.75 3.62 . . . . 0.0 106.257 176.139 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -139.1 141.81 35.32 Favored 'Isoleucine or valine' 0 C--N 1.352 0.694 0 O-C-N 118.956 -2.34 . . . . 0.0 111.748 -171.404 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -141.6 150.64 42.28 Favored 'General case' 0 C--N 1.363 1.164 0 CA-C-N 114.795 -1.093 . . . . 0.0 109.789 174.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -121.36 139.29 53.63 Favored 'General case' 0 C--N 1.366 1.324 0 O-C-N 120.509 -1.369 . . . . 0.0 109.24 177.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.401 ' HB ' ' CD ' ' A' ' 85' ' ' PRO . 36.1 p -119.91 176.81 1.61 Allowed Pre-proline 0 CA--C 1.499 -1.006 0 C-N-CA 129.506 3.122 . . . . 0.0 109.446 -178.008 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.401 ' CD ' ' HB ' ' A' ' 84' ' ' THR . 19.3 Cg_exo -69.72 -1.55 8.62 Favored 'Trans proline' 0 N--CA 1.44 -1.665 0 N-CA-C 117.995 2.267 . . . . 0.0 117.995 165.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -116.55 -6.54 11.67 Favored 'General case' 0 C--N 1.363 1.155 0 CA-C-N 120.97 1.714 . . . . 0.0 113.293 -178.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 157.44 -162.64 32.07 Favored Glycine 0 C--N 1.362 2.015 0 O-C-N 120.187 -1.571 . . . . 0.0 114.795 -178.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.488 ' CZ2' HG21 ' A' ' 67' ' ' THR . 10.3 m95 -110.34 117.4 33.52 Favored 'General case' 0 C--N 1.363 1.16 0 C-N-CA 127.232 2.213 . . . . 0.0 107.406 178.116 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -112.39 125.65 54.43 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 126.639 1.976 . . . . 0.0 106.438 -176.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -114.26 141.81 29.19 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 C-N-CA 127.971 2.508 . . . . 0.0 107.384 177.294 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -123.47 144.99 49.18 Favored 'General case' 0 N--CA 1.439 -0.996 0 N-CA-C 101.325 -3.583 . . . . 0.0 101.325 173.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.448 ' CD2' HG23 ' A' ' 37' ' ' THR 0.637 0.1 OUTLIER -96.67 150.4 20.72 Favored 'General case' 0 N--CA 1.449 -0.492 0 O-C-N 118.855 -2.403 . . . . 0.0 110.352 179.946 . . . . . . . . 4 4 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . 0.264 1.9 mm -85.69 121.45 37.25 Favored 'Isoleucine or valine' 0 C--N 1.351 0.65 1 C-N-CA 132.306 4.242 . . . . 0.0 102.561 -179.329 . . . . . . . . 3 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . 0.345 12.5 p-10 -78.64 81.66 4.93 Favored 'General case' 0 C--N 1.366 1.317 0 O-C-N 118.908 -2.37 . . . . 0.0 114.294 -177.093 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.477 ' HE ' ' HA ' ' A' ' 95' ' ' ARG . 1.1 mmp_? -37.59 -96.13 0.0 OUTLIER 'General case' 0 C--N 1.364 1.228 1 C-N-CA 131.846 4.058 . . . . 0.0 116.112 177.553 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -102.8 115.49 64.15 Favored Pre-proline 0 C--N 1.345 0.386 0 O-C-N 120.298 -1.501 . . . . 0.0 107.919 163.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -61.43 -28.37 83.72 Favored 'Trans proline' 0 C--N 1.354 0.833 1 C-N-CA 126.618 4.879 . . . . 0.0 114.359 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -71.12 -20.29 62.34 Favored 'General case' 0 C--N 1.358 0.96 0 C-N-CA 127.492 2.317 . . . . 0.0 111.38 170.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -77.08 -47.23 21.08 Favored 'General case' 0 C--N 1.371 1.505 0 O-C-N 119.44 -2.037 . . . . 0.0 109.129 167.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 66.7 mt -64.92 -50.32 75.6 Favored 'Isoleucine or valine' 0 C--N 1.361 1.093 0 C-N-CA 129.452 3.101 . . . . 0.0 112.635 -178.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -70.53 -24.3 62.79 Favored 'General case' 0 C--N 1.36 1.04 0 O-C-N 119.161 -2.212 . . . . 0.0 113.517 175.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.4 mpt_? -79.92 -34.7 38.71 Favored 'General case' 0 C--N 1.371 1.506 0 C-N-CA 125.347 1.459 . . . . 0.0 109.635 174.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . 0.459 37.6 mt-30 -60.6 -47.76 84.77 Favored 'General case' 0 C--N 1.366 1.292 0 C-N-CA 127.382 2.273 . . . . 0.0 112.963 170.36 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -81.28 -44.57 17.5 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 116.472 2.027 . . . . 0.0 116.472 178.047 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 . . . . . 0 C--N 1.357 0.927 0 N-CA-C 117.467 2.395 . . . . 0.0 117.467 -176.098 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 16.4 tpt . . . . . 0 N--CA 1.482 1.149 0 N-CA-C 112.368 0.506 . . . . 0.0 112.368 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -60.8 -46.45 90.48 Favored 'General case' 0 C--N 1.362 1.139 0 O-C-N 119.63 -1.919 . . . . 0.0 114.312 173.097 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -70.64 -52.76 19.14 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 126.793 2.037 . . . . 0.0 115.141 174.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.257 19.1 m-85 -73.88 -32.31 63.54 Favored 'General case' 0 C--N 1.364 1.198 0 C-N-CA 125.513 1.525 . . . . 0.0 113.831 -178.259 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . 0.478 28.5 p -73.13 -29.72 63.09 Favored 'General case' 0 C--N 1.371 1.517 0 O-C-N 120.907 -1.12 . . . . 0.0 113.518 169.66 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -69.56 -36.03 75.94 Favored 'General case' 0 C--N 1.368 1.411 0 O-C-N 120.339 -1.476 . . . . 0.0 112.035 170.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -74.97 -49.15 20.98 Favored 'General case' 0 C--N 1.363 1.166 0 O-C-N 120.37 -1.457 . . . . 0.0 113.915 172.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.455 ' CZ ' ' CE1' ' A' ' 46' ' ' TYR . 25.6 t80 -73.34 -53.12 11.57 Favored 'General case' 0 C--N 1.366 1.311 0 O-C-N 120.566 -1.334 . . . . 0.0 114.529 177.671 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.398 0.0 OUTLIER -66.93 -32.37 73.57 Favored 'General case' 0 C--N 1.367 1.358 0 CA-C-N 122.109 2.231 . . . . 0.0 116.188 -178.762 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -69.82 -51.17 35.93 Favored 'General case' 0 C--N 1.367 1.341 0 O-C-N 118.913 -2.367 . . . . 0.0 114.992 171.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -68.22 -45.02 74.43 Favored 'General case' 0 C--N 1.363 1.189 0 C-N-CA 126.783 2.033 . . . . 0.0 112.717 -179.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -69.08 -39.32 79.12 Favored 'General case' 0 C--N 1.361 1.099 0 C-N-CA 127.238 2.215 . . . . 0.0 110.788 175.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . 0.302 8.2 mt -66.2 -37.18 84.96 Favored 'General case' 0 C--N 1.383 2.053 0 CA-C-N 121.948 2.158 . . . . 0.0 113.068 171.245 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -65.07 -49.62 69.37 Favored 'General case' 0 C--N 1.365 1.262 0 CA-C-N 121.429 1.922 . . . . 0.0 114.796 172.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.29 -37.51 87.55 Favored 'General case' 0 C--N 1.361 1.091 0 C-N-CA 127.085 2.154 . . . . 0.0 115.063 177.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.82 -39.86 76.25 Favored 'General case' 0 C--N 1.366 1.324 0 C-N-CA 128.634 2.774 . . . . 0.0 112.243 171.01 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 84.0 mtm180 -75.18 -41.79 57.24 Favored 'General case' 0 C--N 1.377 1.791 0 O-C-N 120.863 -1.148 . . . . 0.0 113.422 178.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . 0.343 5.1 ptm180 -71.92 -53.36 13.37 Favored 'General case' 0 C--N 1.373 1.622 0 N-CA-C 117.465 2.395 . . . . 0.0 117.465 170.271 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -82.16 -29.54 31.51 Favored 'General case' 0 C--N 1.354 0.775 0 O-C-N 120.518 -1.364 . . . . 0.0 114.166 -168.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -111.82 -31.86 6.81 Favored 'General case' 0 C--N 1.354 0.763 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 -173.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 78.71 -108.39 2.65 Favored Glycine 0 C--N 1.383 3.172 0 O-C-N 119.896 -1.753 . . . . 0.0 112.591 176.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -138.84 109.26 6.51 Favored 'General case' 0 CA--C 1.501 -0.917 0 N-CA-C 101.56 -3.496 . . . . 0.0 101.56 165.104 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.3 ttmt -159.68 155.96 26.96 Favored 'General case' 0 N--CA 1.437 -1.118 0 N-CA-C 103.943 -2.614 . . . . 0.0 103.943 -177.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -70.48 107.79 4.0 Favored 'General case' 0 CA--C 1.57 1.719 0 C-N-CA 126.373 1.869 . . . . 0.0 110.139 172.236 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -122.39 153.34 26.92 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.106 0 O-C-N 118.424 -2.672 . . . . 0.0 105.898 -176.27 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 65.0 t-80 -93.92 119.74 33.24 Favored 'General case' 0 C--N 1.35 0.603 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 174.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 41.0 m-20 -54.73 -29.88 54.71 Favored 'General case' 0 C--N 1.369 1.419 0 N-CA-C 117.944 2.572 . . . . 0.0 117.944 -174.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -65.94 -26.8 67.75 Favored 'General case' 0 C--N 1.367 1.329 0 C-N-CA 127.322 2.249 . . . . 0.0 112.725 170.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 20.1 mt -75.45 -42.39 42.61 Favored 'Isoleucine or valine' 0 C--N 1.367 1.362 0 C-N-CA 126.136 1.774 . . . . 0.0 110.12 171.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.1 m -72.82 -36.36 52.04 Favored 'Isoleucine or valine' 0 C--N 1.367 1.364 0 C-N-CA 124.756 1.223 . . . . 0.0 113.249 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.455 ' CE1' ' CZ ' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -61.18 -51.15 70.22 Favored 'General case' 0 C--N 1.385 2.123 0 C-N-CA 126.926 2.09 . . . . 0.0 111.08 176.552 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 55.1 m-80 -63.74 -27.84 69.47 Favored 'General case' 0 C--N 1.363 1.168 0 C-N-CA 130.215 3.406 . . . . 0.0 113.334 175.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -73.56 -41.44 62.94 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.302 1.041 . . . . 0.0 112.67 170.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . 0.276 1.1 t80 -67.44 -52.47 39.24 Favored 'General case' 0 C--N 1.365 1.245 0 C-N-CA 129.804 3.242 . . . . 0.0 113.667 176.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.413 HG12 ' O ' ' A' ' 46' ' ' TYR . 4.2 pt -76.3 -4.73 6.48 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 N-CA-C 118.511 2.782 . . . . 0.0 118.511 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 68.2 m -82.94 55.8 3.21 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.683 1.993 . . . . 0.0 108.241 170.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 78.2 m-70 -171.12 -172.73 1.16 Allowed 'General case' 0 C--N 1.356 0.884 1 C-N-CA 132.388 4.275 . . . . 0.0 101.571 -170.739 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.35 -36.66 71.48 Favored 'General case' 0 C--N 1.375 1.688 0 N-CA-C 118.984 2.957 . . . . 0.0 118.984 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -67.56 12.31 0.1 Allowed 'General case' 0 CA--C 1.496 -1.122 2 C-N-CA 134.589 5.156 . . . . 0.0 121.818 -167.213 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . 0.343 11.9 t-80 -41.22 95.38 0.01 OUTLIER 'General case' 0 C--N 1.362 1.141 0 N-CA-C 119.096 2.998 . . . . 0.0 119.096 179.77 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 60.0 mt -134.15 138.16 50.64 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.259 1 C-N-CA 132.846 4.458 . . . . 0.0 101.695 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.402 ' CE1' ' CD1' ' A' ' 50' ' ' ILE . 0.1 OUTLIER -116.86 157.64 25.3 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 104.207 -2.516 . . . . 0.0 104.207 168.877 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.23 -14.48 0.26 Allowed 'General case' 0 C--N 1.365 1.255 0 C-N-CA 129.242 3.017 . . . . 0.0 118.787 -171.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 24.8 m-80 -83.02 -20.61 34.73 Favored 'General case' 0 N--CA 1.426 -1.666 0 C-N-CA 131.477 3.911 . . . . 0.0 108.765 -174.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -89.14 49.22 1.73 Allowed 'General case' 0 C--N 1.383 2.03 0 C-N-CA 128.651 2.78 . . . . 0.0 111.389 169.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 28.9 p -138.99 -143.28 0.16 Allowed 'General case' 0 C--N 1.355 0.847 0 C-N-CA 126.153 1.781 . . . . 0.0 106.716 -177.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -135.82 21.72 3.31 Favored 'General case' 0 C--N 1.365 1.251 0 CA-C-O 124.555 2.121 . . . . 0.0 108.012 174.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.446 ' CE3' ' HB2' ' A' ' 69' ' ' PHE . 3.7 m0 -116.48 156.08 27.48 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 128.863 2.865 . . . . 0.0 108.411 -178.529 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -101.28 -55.57 2.51 Favored 'General case' 0 C--N 1.365 1.249 0 N-CA-C 119.606 3.187 . . . . 0.0 119.606 -170.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.0 t -141.72 35.01 1.61 Allowed 'General case' 0 C--N 1.355 0.832 0 O-C-N 120.155 -1.59 . . . . 0.0 109.602 -169.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . 0.275 3.4 tp 86.73 -41.9 0.04 OUTLIER 'General case' 0 C--N 1.353 0.724 0 C-N-CA 127.619 2.368 . . . . 0.0 112.495 -177.039 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.469 HG21 ' CZ2' ' A' ' 88' ' ' TRP . 45.8 m -56.85 -39.79 74.93 Favored 'General case' 0 CA--C 1.497 -1.075 1 C-N-CA 132.985 4.514 . . . . 0.0 114.643 -172.307 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.25 -27.38 61.55 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 127.879 2.472 . . . . 0.0 116.206 171.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.446 ' HB2' ' CE3' ' A' ' 63' ' ' TRP . 2.8 t80 -75.57 -36.83 60.28 Favored 'General case' 0 C--N 1.363 1.177 0 C-N-CA 126.905 2.082 . . . . 0.0 108.045 172.28 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . 0.374 0.6 OUTLIER -71.76 -34.5 69.54 Favored 'General case' 0 C--N 1.359 1.022 0 C-N-CA 126.672 1.989 . . . . 0.0 110.917 174.797 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.9 mmtt -63.36 -38.17 90.12 Favored 'General case' 0 C--N 1.37 1.467 0 N-CA-C 116.12 1.896 . . . . 0.0 116.12 166.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 91.1 t90 -80.83 -46.92 14.57 Favored 'General case' 0 C--N 1.369 1.441 0 C-N-CA 126.436 1.894 . . . . 0.0 114.537 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . 0.33 2.6 tp -65.48 -34.65 78.78 Favored 'General case' 0 C--N 1.351 0.631 0 O-C-N 118.791 -2.443 . . . . 0.0 112.267 176.39 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.413 ' HA3' ' O ' ' A' ' 79' ' ' CYS . . . -56.94 -34.33 65.37 Favored Glycine 0 C--N 1.373 2.602 0 C-N-CA 128.602 3.001 . . . . 0.0 117.57 158.047 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 64.3 ttt-85 -83.68 -46.74 11.98 Favored 'General case' 0 C--N 1.357 0.91 0 C-N-CA 126.51 1.924 . . . . 0.0 115.84 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -68.06 -14.49 63.02 Favored 'General case' 0 C--N 1.36 1.053 0 C-N-CA 128.47 2.708 . . . . 0.0 114.787 -176.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.45 26.14 28.64 Favored Glycine 0 C--N 1.358 1.769 0 CA-C-O 121.46 0.478 . . . . 0.0 112.845 178.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 87.0 mt -104.29 -31.56 9.51 Favored 'General case' 0 CA--C 1.491 -1.299 0 O-C-N 121.585 -0.95 . . . . 0.0 111.51 176.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.418 ' SG ' HD13 ' A' ' 90' ' ' ILE . 8.0 m -141.89 154.45 45.13 Favored 'General case' 0 CA--C 1.504 -0.809 0 CA-C-N 122.476 2.398 . . . . 0.0 113.487 174.531 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -94.51 144.84 25.24 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 127.456 2.302 . . . . 0.0 105.914 169.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -131.6 155.13 41.46 Favored 'Isoleucine or valine' 0 C--N 1.346 0.431 0 O-C-N 118.128 -2.857 . . . . 0.0 110.639 -175.006 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -151.67 145.5 25.11 Favored 'General case' 0 C--N 1.357 0.926 0 CA-C-N 114.099 -1.41 . . . . 0.0 109.545 175.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -116.1 139.22 50.52 Favored 'General case' 0 C--N 1.364 1.2 0 O-C-N 120.093 -1.629 . . . . 0.0 109.356 176.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 33.3 p -125.05 175.63 2.91 Favored Pre-proline 0 CA--C 1.496 -1.132 0 C-N-CA 127.936 2.495 . . . . 0.0 109.903 -176.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -68.49 -1.6 7.7 Favored 'Trans proline' 0 N--CA 1.442 -1.557 0 N-CA-C 117.778 2.184 . . . . 0.0 117.778 164.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.1 ttpp -123.05 25.89 8.33 Favored 'General case' 0 C--N 1.36 1.041 0 C-N-CA 125.467 1.507 . . . . 0.0 111.122 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 120.42 -163.95 14.01 Favored Glycine 0 C--N 1.367 2.252 0 N-CA-C 118.181 2.032 . . . . 0.0 118.181 175.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.469 ' CZ2' HG21 ' A' ' 67' ' ' THR . 12.3 m95 -104.61 113.32 26.82 Favored 'General case' 0 C--N 1.368 1.392 0 C-N-CA 128.317 2.647 . . . . 0.0 108.613 176.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -109.74 144.53 38.01 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 126.085 1.754 . . . . 0.0 106.55 -178.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.418 HD13 ' SG ' ' A' ' 79' ' ' CYS . 3.5 pt -130.54 136.94 57.35 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.255 0 C-N-CA 127.3 2.24 . . . . 0.0 107.42 -178.298 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . 0.272 0.0 OUTLIER -120.21 107.61 13.2 Favored 'General case' 0 N--CA 1.433 -1.303 0 N-CA-C 101.375 -3.565 . . . . 0.0 101.375 176.081 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . 0.257 87.4 t80 -54.74 148.9 11.96 Favored 'General case' 0 C--N 1.354 0.783 0 C-N-CA 128.666 2.787 . . . . 0.0 114.001 -178.234 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.9 mt -88.05 112.94 24.35 Favored 'Isoleucine or valine' 0 CA--C 1.482 -1.649 0 N-CA-C 104.094 -2.558 . . . . 0.0 104.094 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.457 ' HB2' HG12 ' A' ' 100' ' ' ILE 0.31 7.7 p-10 -76.59 95.01 3.83 Favored 'General case' 0 C--N 1.358 0.949 0 CA-C-O 122.182 0.992 . . . . 0.0 111.088 -178.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 28.3 mtm180 -59.79 -84.56 0.01 OUTLIER 'General case' 0 N--CA 1.441 -0.889 0 C-N-CA 129.762 3.225 . . . . 0.0 113.268 -170.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -102.15 119.31 56.95 Favored Pre-proline 0 CA--C 1.518 -0.28 0 CA-C-O 115.348 -2.263 . . . . 0.0 106.805 162.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -61.09 -25.89 81.93 Favored 'Trans proline' 0 C--N 1.352 0.716 1 C-N-CA 126.667 4.911 . . . . 0.0 115.877 -176.508 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.422 ' O ' ' HB3' ' A' ' 102' ' ' ARG . 8.3 mp0 -62.83 -40.55 97.76 Favored 'General case' 0 C--N 1.374 1.64 0 C-N-CA 124.715 1.206 . . . . 0.0 109.263 166.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.97 -28.0 69.79 Favored 'General case' 0 C--O 1.214 -0.809 0 O-C-N 118.429 -2.669 . . . . 0.0 115.484 172.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.457 HG12 ' HB2' ' A' ' 94' ' ' ASP . 1.8 mp -75.4 -50.54 23.74 Favored 'Isoleucine or valine' 0 C--N 1.362 1.119 0 C-N-CA 128.063 2.545 . . . . 0.0 112.6 168.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -76.01 -41.25 51.62 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 126.166 1.787 . . . . 0.0 114.566 -178.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.422 ' HB3' ' O ' ' A' ' 98' ' ' GLU 0.396 0.0 OUTLIER -71.45 -33.96 69.81 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 126.232 1.813 . . . . 0.0 112.216 179.944 . . . . . . . . 4 4 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -60.45 -35.95 77.05 Favored 'General case' 0 C--N 1.359 1.002 0 C-N-CA 126.191 1.796 . . . . 0.0 115.65 169.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.72 -56.51 3.95 Favored 'General case' 0 C--N 1.359 0.988 0 C-N-CA 124.563 1.145 . . . . 0.0 112.465 172.238 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 . . . . . 0 C--N 1.367 1.34 0 N-CA-C 116.909 2.188 . . . . 0.0 116.909 -174.906 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.483 -1.929 0 N-CA-C 109.359 -1.496 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -88.5 -67.52 0.83 Allowed 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 125.986 1.714 . . . . 0.0 115.139 -176.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.67 52.35 0.99 Allowed 'General case' 0 C--N 1.359 1.002 0 C-N-CA 126.509 1.924 . . . . 0.0 116.076 -174.566 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -88.02 -23.18 23.86 Favored 'General case' 0 C--N 1.363 1.194 0 C-N-CA 127.403 2.281 . . . . 0.0 115.244 -177.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.7 mm? 71.59 -59.47 0.55 Allowed 'General case' 0 C--N 1.364 1.22 0 C-N-CA 127.83 2.452 . . . . 0.0 113.501 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . 0.33 0.6 OUTLIER 68.17 -60.97 0.4 Allowed 'General case' 0 C--N 1.358 0.978 0 C-N-CA 129.364 3.066 . . . . 0.0 117.293 175.846 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.319 53.2 mt 69.54 -31.95 0.22 Allowed 'General case' 0 C--N 1.359 1.003 0 C-N-CA 129.824 3.25 . . . . 0.0 118.097 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 82.1 14.18 0.52 Allowed 'General case' 0 C--N 1.355 0.81 0 N-CA-C 116.82 2.156 . . . . 0.0 116.82 168.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.0 t -85.32 54.63 3.18 Favored 'General case' 0 C--N 1.361 1.067 0 C-N-CA 127.17 2.188 . . . . 0.0 114.283 -177.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -118.74 -170.94 2.0 Allowed 'General case' 0 C--N 1.353 0.73 0 C-N-CA 126.571 1.948 . . . . 0.0 111.665 -177.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 63.0 69.73 0.82 Allowed Pre-proline 0 C--N 1.363 1.155 0 C-N-CA 129.197 2.999 . . . . 0.0 117.185 173.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -79.93 -17.0 11.05 Favored 'Trans proline' 0 CA--C 1.546 1.102 0 C-N-CA 125.137 3.891 . . . . 0.0 115.469 -176.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -78.29 3.71 14.74 Favored 'General case' 0 C--N 1.36 1.053 0 C-N-CA 126.915 2.086 . . . . 0.0 116.323 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -112.87 -6.43 13.8 Favored 'General case' 0 C--N 1.357 0.929 0 C-N-CA 126.372 1.869 . . . . 0.0 112.114 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -109.4 20.8 17.83 Favored 'General case' 0 C--N 1.362 1.133 0 O-C-N 120.272 -1.518 . . . . 0.0 110.065 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 18.0 tpt -62.28 -31.0 71.52 Favored 'General case' 0 C--N 1.378 1.832 0 C-N-CA 128.546 2.738 . . . . 0.0 113.557 177.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -64.85 -52.57 55.94 Favored 'General case' 0 C--N 1.361 1.091 0 O-C-N 119.627 -1.92 . . . . 0.0 111.923 173.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -71.08 -53.26 15.26 Favored 'General case' 0 C--N 1.359 0.986 0 N-CA-C 117.226 2.306 . . . . 0.0 117.226 174.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -73.79 -35.42 64.92 Favored 'General case' 0 C--N 1.363 1.193 0 C-N-CA 124.889 1.276 . . . . 0.0 113.48 -176.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . 0.29 5.2 t -72.55 -30.45 64.45 Favored 'General case' 0 C--N 1.374 1.655 0 O-C-N 121.16 -0.962 . . . . 0.0 113.093 173.038 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -70.55 -50.43 37.6 Favored 'General case' 0 C--N 1.371 1.539 0 CA-C-N 119.093 0.861 . . . . 0.0 112.641 172.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -66.83 -39.28 87.61 Favored 'General case' 0 C--N 1.37 1.476 0 C-N-CA 125.28 1.432 . . . . 0.0 113.951 175.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -71.2 -53.12 15.54 Favored 'General case' 0 C--N 1.372 1.556 0 CA-C-O 116.772 -1.585 . . . . 0.0 112.237 173.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.551 HH11 HD13 ' A' ' 28' ' ' LEU 0.361 34.6 ttp85 -70.81 -28.77 64.88 Favored 'General case' 0 C--N 1.373 1.592 0 CA-C-N 123.86 3.027 . . . . 0.0 115.415 177.518 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -64.89 -51.75 60.23 Favored 'General case' 0 C--N 1.37 1.471 0 O-C-N 119.074 -2.266 . . . . 0.0 113.762 174.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -77.17 -37.78 53.07 Favored 'General case' 0 C--N 1.354 0.761 0 N-CA-C 114.439 1.274 . . . . 0.0 114.439 175.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -69.09 -47.6 64.8 Favored 'General case' 0 C--N 1.365 1.28 0 CA-C-N 121.171 1.805 . . . . 0.0 112.447 178.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.551 HD13 HH11 ' A' ' 24' ' ' ARG . 0.0 OUTLIER -66.8 -34.37 77.68 Favored 'General case' 0 C--N 1.368 1.378 0 C-N-CA 125.336 1.454 . . . . 0.0 112.865 176.062 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.02 -44.81 72.0 Favored 'General case' 0 C--N 1.384 2.09 0 N-CA-C 113.137 0.792 . . . . 0.0 113.137 170.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.62 -38.13 88.55 Favored 'General case' 0 C--N 1.364 1.22 0 C-N-CA 127.151 2.181 . . . . 0.0 114.419 177.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.58 -39.54 91.74 Favored 'General case' 0 C--N 1.363 1.179 0 C-N-CA 130.513 3.525 . . . . 0.0 110.262 171.286 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.504 ' HD2' HE22 ' A' ' 103' ' ' GLN . 41.8 mtm180 -74.98 -47.41 29.45 Favored 'General case' 0 N--CA 1.44 -0.941 0 N-CA-C 116.785 2.143 . . . . 0.0 116.785 176.194 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.436 ' HB3' ' HB3' ' A' ' 103' ' ' GLN 0.322 10.3 ptt180 -72.97 -46.45 52.28 Favored 'General case' 0 CA--C 1.477 -1.847 0 N-CA-C 119.704 3.224 . . . . 0.0 119.704 172.085 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -83.59 -20.99 32.74 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 114.009 1.115 . . . . 0.0 114.009 -173.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -120.16 -40.06 2.75 Favored 'General case' 0 C--N 1.364 1.208 0 CA-C-O 118.148 -0.93 . . . . 0.0 113.234 -175.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.23 -118.23 4.65 Favored Glycine 0 C--N 1.39 3.569 0 CA-C-N 123.182 2.719 . . . . 0.0 110.595 -172.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.425 HG21 ' CD1' ' A' ' 92' ' ' TYR . 29.7 p -131.56 108.99 9.93 Favored 'General case' 0 C--N 1.351 0.641 0 N-CA-C 102.78 -3.045 . . . . 0.0 102.78 169.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -137.61 145.76 43.15 Favored 'General case' 0 CA--C 1.498 -1.022 0 C-N-CA 125.175 1.39 . . . . 0.0 108.34 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.33 108.37 8.06 Favored 'General case' 0 C--N 1.365 1.265 0 CA-C-O 123.353 1.549 . . . . 0.0 108.071 168.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.5 p -144.84 154.82 14.29 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.681 0 C-N-CA 125.285 1.434 . . . . 0.0 107.479 -168.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 62.2 t-80 -88.69 123.85 33.53 Favored 'General case' 0 C--N 1.358 0.965 0 C-N-CA 124.844 1.258 . . . . 0.0 110.944 -177.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.0 m-20 -52.64 -30.89 34.0 Favored 'General case' 0 C--N 1.365 1.258 0 N-CA-C 117.61 2.448 . . . . 0.0 117.61 -177.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -69.01 -28.16 66.33 Favored 'General case' 0 C--N 1.371 1.516 0 O-C-N 120.461 -1.4 . . . . 0.0 112.16 173.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.2 mt -72.13 -39.04 64.7 Favored 'Isoleucine or valine' 0 C--N 1.37 1.46 0 C-N-CA 126.636 1.975 . . . . 0.0 110.592 173.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.8 m -73.11 -41.16 59.02 Favored 'Isoleucine or valine' 0 C--N 1.363 1.192 0 C-N-CA 125.376 1.471 . . . . 0.0 111.249 177.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.408 ' O ' HG12 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -61.3 -50.72 71.85 Favored 'General case' 0 C--N 1.381 1.977 0 C-N-CA 129.156 2.982 . . . . 0.0 112.35 175.192 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -66.95 -26.77 66.99 Favored 'General case' 0 C--N 1.363 1.189 0 C-N-CA 128.616 2.767 . . . . 0.0 112.779 176.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -75.23 -48.85 21.48 Favored 'General case' 0 C--N 1.355 0.807 0 C-N-CA 125.004 1.322 . . . . 0.0 112.037 172.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -56.69 -52.42 65.01 Favored 'General case' 0 C--N 1.369 1.414 0 C-N-CA 130.796 3.638 . . . . 0.0 112.676 177.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.417 ' HB ' ' HD2' ' A' ' 55' ' ' HIS . 4.2 pt -72.02 -2.94 3.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 N-CA-C 120.951 3.686 . . . . 0.0 120.951 -178.481 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 96.1 p -71.82 -9.72 58.72 Favored 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 126.858 2.063 . . . . 0.0 113.544 175.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 45.5 m-70 -95.36 -153.34 0.39 Allowed 'General case' 0 CA--C 1.557 1.242 0 C-N-CA 131.248 3.819 . . . . 0.0 109.679 175.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.02 -43.14 93.41 Favored 'General case' 0 C--N 1.374 1.669 0 O-C-N 118.607 -2.558 . . . . 0.0 116.71 -178.44 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -62.36 11.5 0.02 OUTLIER 'General case' 0 CA--C 1.497 -1.094 1 C-N-CA 137.674 6.39 . . . . 0.0 120.952 -168.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.417 ' HD2' ' HB ' ' A' ' 50' ' ' ILE 0.332 38.2 t-80 -45.76 87.06 0.0 OUTLIER 'General case' 0 C--N 1.365 1.282 0 N-CA-C 118.517 2.784 . . . . 0.0 118.517 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 65.0 mt -119.35 143.58 30.28 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.048 1 C-N-CA 132.638 4.375 . . . . 0.0 104.67 178.013 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.482 ' CG ' HD21 ' A' ' 59' ' ' ASN . 2.5 t-160 -108.29 152.35 24.74 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 105.623 -1.991 . . . . 0.0 105.623 169.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.99 -25.05 7.52 Favored 'General case' 0 N--CA 1.495 1.793 0 C-N-CA 127.632 2.373 . . . . 0.0 116.961 -178.518 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.482 HD21 ' CG ' ' A' ' 57' ' ' HIS . 13.8 m-80 -73.35 -14.86 61.37 Favored 'General case' 0 CA--C 1.574 1.879 1 C-N-CA 132.772 4.429 . . . . 0.0 111.448 -177.175 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -80.51 -1.75 43.11 Favored 'General case' 0 C--N 1.386 2.191 0 C-N-CA 129.015 2.926 . . . . 0.0 115.309 172.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 7.4 p -101.58 175.87 5.42 Favored 'General case' 0 C--N 1.351 0.64 0 C-N-CA 128.806 2.842 . . . . 0.0 110.885 -177.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -87.29 0.04 56.0 Favored 'General case' 0 C--N 1.369 1.431 0 O-C-N 120.14 -1.6 . . . . 0.0 113.062 173.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 1.9 m-90 -91.52 105.79 18.01 Favored 'General case' 0 C--N 1.36 1.032 0 C-N-CA 127.674 2.389 . . . . 0.0 107.149 177.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -74.63 -11.5 60.21 Favored 'General case' 0 C--N 1.362 1.131 0 C-N-CA 126.929 2.092 . . . . 0.0 115.259 -177.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 33.9 p -141.01 160.35 40.28 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 103.11 -2.922 . . . . 0.0 103.11 -178.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.9 tp -71.33 -26.29 62.77 Favored 'General case' 0 C--N 1.37 1.479 0 O-C-N 119.913 -1.742 . . . . 0.0 111.532 176.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.497 HG21 ' CZ2' ' A' ' 88' ' ' TRP . 41.5 m -57.87 -42.95 85.61 Favored 'General case' 0 CA--C 1.49 -1.341 1 C-N-CA 134.02 4.928 . . . . 0.0 110.664 179.434 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.96 -26.87 62.44 Favored 'General case' 0 C--N 1.356 0.856 0 C-N-CA 127.045 2.138 . . . . 0.0 116.583 174.084 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -73.75 -37.09 65.17 Favored 'General case' 0 C--N 1.366 1.293 0 C-N-CA 126.767 2.027 . . . . 0.0 108.764 172.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.65 -36.29 70.66 Favored 'General case' 0 C--N 1.36 1.06 0 C-N-CA 126.489 1.916 . . . . 0.0 111.164 174.215 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.9 mmtt -63.33 -36.62 84.3 Favored 'General case' 0 C--N 1.378 1.831 0 N-CA-C 115.673 1.731 . . . . 0.0 115.673 169.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 91.6 t90 -81.09 -54.64 5.37 Favored 'General case' 0 C--N 1.364 1.239 0 C-N-CA 126.067 1.747 . . . . 0.0 114.121 178.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.403 ' HG ' ' SG ' ' A' ' 79' ' ' CYS . 0.6 OUTLIER -65.45 -35.16 80.1 Favored 'General case' 0 C--N 1.364 1.196 0 C-N-CA 128.329 2.652 . . . . 0.0 116.31 -179.63 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -62.44 -26.92 68.67 Favored Glycine 0 C--N 1.363 2.062 0 C-N-CA 128.781 3.086 . . . . 0.0 114.325 169.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 -83.17 -19.71 36.06 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 126.417 1.887 . . . . 0.0 116.013 -176.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -87.7 -17.63 31.33 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 124.994 1.318 . . . . 0.0 113.345 -174.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 93.0 25.58 19.33 Favored Glycine 0 C--N 1.367 2.291 0 CA-C-O 122.262 0.923 . . . . 0.0 110.796 -177.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.01 -35.82 6.24 Favored 'General case' 0 CA--C 1.481 -1.679 0 C-N-CA 124.197 0.999 . . . . 0.0 109.649 176.268 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 92' ' ' TYR . 34.8 m -131.34 153.11 49.96 Favored 'General case' 0 C--N 1.345 0.401 0 N-CA-C 116.405 2.002 . . . . 0.0 116.405 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.2 tptm -111.25 144.21 40.78 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 128.84 2.856 . . . . 0.0 105.795 172.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -135.46 145.85 30.98 Favored 'Isoleucine or valine' 0 C--N 1.351 0.65 0 O-C-N 118.735 -2.478 . . . . 0.0 112.669 -173.399 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -145.16 153.09 41.01 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 125.3 1.44 . . . . 0.0 110.421 174.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -122.42 138.84 54.41 Favored 'General case' 0 C--N 1.367 1.358 0 O-C-N 120.044 -1.66 . . . . 0.0 109.815 177.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 30.6 p -124.99 175.6 2.92 Favored Pre-proline 0 CA--C 1.496 -1.108 0 C-N-CA 128.284 2.634 . . . . 0.0 110.032 -176.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo -68.04 -4.25 12.18 Favored 'Trans proline' 0 N--CA 1.44 -1.619 0 N-CA-C 117.968 2.257 . . . . 0.0 117.968 165.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -117.73 18.73 14.06 Favored 'General case' 0 C--N 1.36 1.055 0 C-N-CA 126.069 1.748 . . . . 0.0 112.284 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 128.31 -161.01 22.13 Favored Glycine 0 C--N 1.365 2.164 0 N-CA-C 117.358 1.703 . . . . 0.0 117.358 177.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.497 ' CZ2' HG21 ' A' ' 67' ' ' THR . 12.1 m95 -109.74 115.92 30.74 Favored 'General case' 0 C--N 1.364 1.237 0 C-N-CA 127.838 2.455 . . . . 0.0 107.097 177.218 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -115.03 128.26 56.15 Favored 'General case' 0 CA--C 1.498 -1.053 0 C-N-CA 126.809 2.044 . . . . 0.0 106.217 -175.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.2 pt -114.75 140.53 35.35 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.998 0 C-N-CA 126.682 1.993 . . . . 0.0 107.376 178.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.52 117.52 30.59 Favored 'General case' 0 N--CA 1.437 -1.104 0 N-CA-C 100.98 -3.711 . . . . 0.0 100.98 170.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.428 ' HA ' ' HA ' ' A' ' 79' ' ' CYS 0.614 0.0 OUTLIER -77.23 149.67 35.46 Favored 'General case' 0 CA--C 1.554 1.112 0 O-C-N 119.701 -1.874 . . . . 0.0 112.278 -179.656 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . 0.252 2.2 mm -85.73 123.16 39.24 Favored 'Isoleucine or valine' 0 C--N 1.351 0.648 0 C-N-CA 131.354 3.862 . . . . 0.0 107.02 -176.156 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . 0.356 11.6 p-10 -74.36 34.37 0.09 Allowed 'General case' 0 C--N 1.363 1.163 0 N-CA-C 119.554 3.168 . . . . 0.0 119.554 -172.286 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 12.8 mmm180 23.16 -101.37 0.01 OUTLIER 'General case' 0 C--N 1.361 1.071 1 C-N-CA 133.845 4.858 . . . . 0.0 115.689 176.343 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -103.03 113.73 65.69 Favored Pre-proline 0 CA--C 1.512 -0.519 0 CA-C-O 116.248 -1.834 . . . . 0.0 106.123 159.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_exo -64.51 -29.82 61.67 Favored 'Trans proline' 0 C--N 1.359 1.101 0 C-N-CA 125.175 3.916 . . . . 0.0 114.791 -172.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -63.79 -23.6 67.43 Favored 'General case' 0 C--N 1.357 0.919 0 C-N-CA 126.136 1.774 . . . . 0.0 111.22 170.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -76.64 -40.15 50.08 Favored 'General case' 0 C--N 1.366 1.313 0 O-C-N 119.896 -1.752 . . . . 0.0 111.157 169.436 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 34.0 mm -66.46 -49.64 73.69 Favored 'Isoleucine or valine' 0 C--N 1.367 1.345 0 C-N-CA 131.403 3.881 . . . . 0.0 110.516 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 64.0 mmt-85 -72.62 -29.85 63.82 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 127.705 2.402 . . . . 0.0 113.45 177.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -78.65 -29.14 45.62 Favored 'General case' 0 C--N 1.377 1.79 0 O-C-N 120.047 -1.658 . . . . 0.0 111.294 174.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.504 HE22 ' HD2' ' A' ' 32' ' ' ARG . 10.0 mt-30 -62.86 -59.38 4.93 Favored 'General case' 0 C--N 1.36 1.022 0 C-N-CA 127.175 2.19 . . . . 0.0 112.243 169.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . 0.29 0.1 OUTLIER -48.69 -58.22 5.09 Favored 'General case' 0 CA--C 1.536 0.414 1 C-N-CA 133.972 4.909 . . . . 0.0 116.621 173.014 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -85.36 -58.87 2.5 Favored 'General case' 0 C--N 1.364 1.237 0 N-CA-C 118.916 2.932 . . . . 0.0 118.916 178.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 5.3 mt -83.34 -46.15 12.93 Favored 'General case' 0 C--N 1.364 1.232 0 N-CA-C 117.358 2.355 . . . . 0.0 117.358 -168.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -62.72 -16.27 56.69 Favored 'General case' 0 C--N 1.374 1.638 0 C-N-CA 127.163 2.185 . . . . 0.0 113.66 -177.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -71.84 -22.5 61.53 Favored 'General case' 0 C--N 1.353 0.761 0 C-N-CA 129.07 2.948 . . . . 0.0 114.367 174.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -84.24 -15.63 46.13 Favored 'General case' 0 C--N 1.361 1.088 0 C-N-CA 128.181 2.592 . . . . 0.0 113.272 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 17.4 pttp -120.45 -46.74 2.37 Favored 'General case' 0 C--N 1.355 0.814 0 C-N-CA 126.391 1.876 . . . . 0.0 110.534 -179.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.361 1.09 0 N-CA-C 106.562 -1.644 . . . . 0.0 106.562 175.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.493 -1.315 0 N-CA-C 109.292 -1.523 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -83.44 -41.31 18.23 Favored 'General case' 0 C--N 1.357 0.927 0 C-N-CA 126.202 1.801 . . . . 0.0 113.373 177.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 29.5 ttt85 -167.29 -179.8 4.68 Favored 'General case' 0 N--CA 1.442 -0.867 0 N-CA-C 105.692 -1.966 . . . . 0.0 105.692 -172.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . 0.435 3.3 pt20 66.49 -67.88 0.15 Allowed 'General case' 0 C--N 1.358 0.945 0 C-N-CA 129.394 3.078 . . . . 0.0 117.535 -178.217 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.253 7.8 mt 72.55 55.89 0.14 Allowed 'General case' 0 C--N 1.356 0.887 0 C-N-CA 129.797 3.239 . . . . 0.0 110.765 -178.446 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -98.52 -173.17 2.48 Favored 'General case' 0 C--N 1.355 0.83 0 C-N-CA 127.266 2.227 . . . . 0.0 115.124 -171.333 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -110.29 11.24 23.49 Favored 'General case' 0 C--N 1.361 1.07 0 C-N-CA 125.501 1.52 . . . . 0.0 112.573 179.604 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 72.64 50.28 0.18 Allowed 'General case' 0 C--N 1.354 0.794 0 C-N-CA 126.904 2.082 . . . . 0.0 116.121 172.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.7 t -163.49 146.12 9.95 Favored 'General case' 0 C--N 1.354 0.781 0 N-CA-C 104.446 -2.427 . . . . 0.0 104.446 177.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -170.2 162.24 8.67 Favored 'General case' 0 C--N 1.355 0.825 0 N-CA-C 101.009 -3.7 . . . . 0.0 101.009 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -111.86 101.49 51.58 Favored Pre-proline 0 C--N 1.35 0.588 0 C-N-CA 125.311 1.445 . . . . 0.0 108.229 177.432 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -82.49 47.62 2.53 Favored 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 124.355 3.37 . . . . 0.0 111.425 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -70.81 67.95 0.4 Allowed 'General case' 0 C--N 1.368 1.409 0 C-N-CA 128.163 2.585 . . . . 0.0 112.293 177.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . 0.296 31.7 mt-30 77.12 39.2 0.21 Allowed 'General case' 0 C--N 1.362 1.149 1 C-N-CA 132.196 4.199 . . . . 0.0 110.523 -173.602 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . 0.294 5.6 m-85 67.84 24.77 8.06 Favored 'General case' 0 C--N 1.369 1.421 1 C-N-CA 133.332 4.653 . . . . 0.0 113.387 -179.792 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.444 ' HE2' ' CZ2' ' A' ' 72' ' ' TRP . 1.6 tmt? -55.5 -54.16 47.4 Favored 'General case' 0 C--N 1.373 1.607 0 C-N-CA 128.21 2.604 . . . . 0.0 114.985 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.38 -22.07 61.19 Favored 'General case' 0 C--N 1.364 1.235 0 CA-C-N 123.628 2.922 . . . . 0.0 114.517 178.245 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -71.44 -54.01 12.07 Favored 'General case' 0 C--N 1.368 1.371 0 C-N-CA 124.805 1.242 . . . . 0.0 113.661 170.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -74.59 -37.68 62.84 Favored 'General case' 0 C--N 1.365 1.271 0 C-N-CA 126.673 1.989 . . . . 0.0 114.22 177.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . 0.467 1.5 m -72.61 -28.18 62.62 Favored 'General case' 0 CA--C 1.489 -1.381 0 C-N-CA 126.945 2.098 . . . . 0.0 114.648 177.404 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.444 ' O ' ' HB2' ' A' ' 25' ' ' ASN . 35.3 tt0 -68.93 -49.11 60.9 Favored 'General case' 0 C--N 1.37 1.463 0 CA-C-N 120.15 1.341 . . . . 0.0 110.471 170.043 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -66.7 -34.09 77.08 Favored 'General case' 0 C--N 1.368 1.409 0 C-N-CA 125.41 1.484 . . . . 0.0 114.984 176.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.408 ' CZ ' ' CE1' ' A' ' 46' ' ' TYR . 8.1 t80 -73.79 -53.44 10.27 Favored 'General case' 0 C--N 1.366 1.296 0 O-C-N 119.384 -2.072 . . . . 0.0 111.027 170.057 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.454 HH12 ' HD1' ' A' ' 27' ' ' PHE 0.406 0.1 OUTLIER -70.6 -36.55 73.58 Favored 'General case' 0 C--N 1.36 1.03 0 N-CA-C 118.327 2.714 . . . . 0.0 118.327 -176.564 . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.444 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 0.7 OUTLIER -66.04 -51.3 59.49 Favored 'General case' 0 C--N 1.366 1.309 0 O-C-N 119.843 -1.786 . . . . 0.0 114.811 177.35 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -73.5 -39.39 64.86 Favored 'General case' 0 C--N 1.35 0.605 0 C-N-CA 125.459 1.503 . . . . 0.0 112.164 175.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.454 ' HD1' HH12 ' A' ' 24' ' ' ARG . 25.6 t80 -67.99 -40.13 83.12 Favored 'General case' 0 C--N 1.375 1.682 0 CA-C-N 120.84 1.654 . . . . 0.0 113.248 175.681 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . 0.313 0.9 OUTLIER -65.26 -37.79 88.31 Favored 'General case' 0 C--N 1.38 1.924 0 CA-C-N 122.179 2.263 . . . . 0.0 112.703 172.749 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -60.19 -51.69 68.51 Favored 'General case' 0 C--N 1.38 1.907 0 CA-C-N 120.73 1.605 . . . . 0.0 113.707 168.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.4 tp -56.91 -43.13 81.09 Favored 'General case' 0 C--N 1.363 1.188 0 C-N-CA 129.167 2.987 . . . . 0.0 114.561 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.8 tt -64.32 -53.05 54.91 Favored 'General case' 0 C--N 1.369 1.417 0 C-N-CA 130.956 3.703 . . . . 0.0 110.557 175.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 84.1 mtm180 -63.63 -46.26 86.5 Favored 'General case' 0 C--N 1.363 1.154 0 N-CA-C 116.69 2.108 . . . . 0.0 116.69 174.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . 0.266 6.6 ptt-85 -71.98 -54.32 10.32 Favored 'General case' 0 C--N 1.371 1.51 0 N-CA-C 117.319 2.34 . . . . 0.0 117.319 172.355 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -83.05 -24.01 32.94 Favored 'General case' 0 C--N 1.355 0.808 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 -167.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -120.23 -35.33 3.47 Favored 'General case' 0 C--N 1.36 1.04 0 C-N-CA 124.648 1.179 . . . . 0.0 111.764 -175.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 75.66 -115.7 4.64 Favored Glycine 0 C--N 1.383 3.148 0 O-C-N 119.506 -1.996 . . . . 0.0 111.257 -168.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.0 p -124.18 107.84 11.66 Favored 'General case' 0 N--CA 1.437 -1.124 0 N-CA-C 102.544 -3.132 . . . . 0.0 102.544 172.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.0 ttmt -147.34 141.52 26.13 Favored 'General case' 0 CA--C 1.508 -0.659 0 C-N-CA 124.701 1.201 . . . . 0.0 108.925 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.53 108.29 4.25 Favored 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 126.234 1.814 . . . . 0.0 109.769 173.452 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.4 p -151.91 154.94 7.4 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.276 0 O-C-N 118.898 -2.376 . . . . 0.0 107.805 -170.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.431 ' HE1' ' HG ' ' A' ' 66' ' ' LEU 0.256 3.9 t-80 -79.83 125.48 29.75 Favored 'General case' 0 C--N 1.375 1.695 0 CA-C-O 124.408 2.051 . . . . 0.0 107.673 174.587 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -57.28 -22.55 42.37 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 112.756 -2.02 . . . . 0.0 113.763 177.056 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -75.14 -28.04 59.99 Favored 'General case' 0 C--N 1.368 1.389 0 O-C-N 120.441 -1.412 . . . . 0.0 111.862 176.003 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 66.3 mt -69.05 -46.3 78.71 Favored 'Isoleucine or valine' 0 C--N 1.367 1.339 0 C-N-CA 127.549 2.34 . . . . 0.0 109.07 173.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.1 m -68.83 -32.64 55.57 Favored 'Isoleucine or valine' 0 C--N 1.361 1.101 0 C-N-CA 127.215 2.206 . . . . 0.0 112.658 176.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.457 ' O ' HG12 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -62.79 -51.8 65.67 Favored 'General case' 0 C--N 1.383 2.032 0 C-N-CA 127.284 2.234 . . . . 0.0 110.457 177.315 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -60.78 -30.32 69.97 Favored 'General case' 0 C--N 1.363 1.183 0 C-N-CA 129.562 3.145 . . . . 0.0 114.463 176.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -74.78 -43.82 52.82 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.35 1.46 . . . . 0.0 112.749 173.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -66.86 -52.4 43.97 Favored 'General case' 0 C--N 1.362 1.123 0 C-N-CA 130.157 3.383 . . . . 0.0 112.512 177.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.494 ' HB ' ' HA ' ' A' ' 55' ' ' HIS . 9.2 pt -73.05 -10.03 13.56 Favored 'Isoleucine or valine' 0 C--N 1.359 1.019 0 N-CA-C 116.529 2.048 . . . . 0.0 116.529 -177.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.3 m -84.86 51.79 2.25 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 127.16 2.184 . . . . 0.0 109.641 174.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 30.1 m-70 -150.54 -150.74 0.36 Allowed 'General case' 0 C--N 1.349 0.562 0 N-CA-C 101.55 -3.5 . . . . 0.0 101.55 -175.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.81 -39.98 69.48 Favored 'General case' 0 C--N 1.367 1.335 0 O-C-N 118.729 -2.482 . . . . 0.0 115.533 177.402 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -61.61 12.23 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.562 1 C-N-CA 133.783 4.833 . . . . 0.0 121.201 -173.253 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.494 ' HA ' ' HB ' ' A' ' 50' ' ' ILE 0.492 2.5 t-160 -41.9 68.13 0.0 OUTLIER 'General case' 0 C--N 1.369 1.454 1 N-CA-C 122.623 4.305 . . . . 0.0 122.623 -172.165 . . . . . . . . 4 3 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 25.4 mt -87.89 175.21 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.791 1 C-N-CA 134.2 5.0 . . . . 0.0 110.425 177.429 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 22.1 t-160 -133.97 156.51 48.03 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 127.596 2.358 . . . . 0.0 105.231 167.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.535 ' HB3' HD21 ' A' ' 59' ' ' ASN . 0.0 OUTLIER -59.84 -25.22 64.83 Favored 'General case' 0 C--N 1.361 1.074 0 C-N-CA 128.746 2.818 . . . . 0.0 115.446 177.001 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.535 HD21 ' HB3' ' A' ' 58' ' ' MET 0.252 1.0 OUTLIER -86.16 1.68 49.72 Favored 'General case' 0 CA--C 1.566 1.583 0 C-N-CA 127.236 2.214 . . . . 0.0 112.822 -179.542 . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -85.05 10.66 11.37 Favored 'General case' 0 C--N 1.389 2.305 0 C-N-CA 128.923 2.889 . . . . 0.0 112.809 169.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 10.4 p -115.66 175.3 5.59 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 127.879 2.471 . . . . 0.0 110.796 -176.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -85.08 2.41 43.51 Favored 'General case' 0 C--N 1.373 1.597 0 C-N-CA 126.951 2.1 . . . . 0.0 112.791 174.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.477 ' CD2' ' HB2' ' A' ' 69' ' ' PHE . 2.5 m-90 -99.73 107.38 19.45 Favored 'General case' 0 N--CA 1.438 -1.074 0 C-N-CA 130.09 3.356 . . . . 0.0 106.827 -178.283 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -65.05 -24.51 67.49 Favored 'General case' 0 C--N 1.367 1.368 0 C-N-CA 128.919 2.888 . . . . 0.0 115.299 -174.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.3 t -151.02 172.32 15.91 Favored 'General case' 0 N--CA 1.441 -0.896 0 N-CA-C 101.433 -3.543 . . . . 0.0 101.433 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.431 ' HG ' ' HE1' ' A' ' 41' ' ' HIS . 6.0 tp -62.1 -26.14 68.12 Favored 'General case' 0 C--N 1.366 1.305 0 C-N-CA 127.726 2.411 . . . . 0.0 112.298 179.031 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.518 HG21 ' CZ2' ' A' ' 88' ' ' TRP . 5.9 m -56.7 -49.45 75.08 Favored 'General case' 0 C--N 1.361 1.066 0 C-N-CA 128.062 2.545 . . . . 0.0 115.888 -179.468 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.363 86.8 m-20 -73.02 -25.72 61.06 Favored 'General case' 0 C--N 1.355 0.832 0 N-CA-C 117.13 2.27 . . . . 0.0 117.13 177.646 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.477 ' HB2' ' CD2' ' A' ' 63' ' ' TRP . 3.4 t80 -73.45 -38.94 65.31 Favored 'General case' 0 C--N 1.35 0.604 0 C-N-CA 127.09 2.156 . . . . 0.0 110.612 172.111 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.519 HG23 ' CE3' ' A' ' 88' ' ' TRP . 0.5 OUTLIER -69.87 -34.39 73.51 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 129.167 2.987 . . . . 0.0 110.557 175.583 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 45.1 mmtt -63.29 -46.51 86.44 Favored 'General case' 0 C--N 1.383 2.026 0 C-N-CA 124.519 1.128 . . . . 0.0 113.054 169.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.444 ' CZ2' ' HE2' ' A' ' 16' ' ' MET . 79.1 t90 -69.9 -53.87 16.0 Favored 'General case' 0 C--N 1.375 1.697 0 C-N-CA 126.682 1.993 . . . . 0.0 114.645 177.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.0 -35.96 82.87 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 129.269 3.027 . . . . 0.0 115.077 -179.564 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -63.84 -27.4 71.13 Favored Glycine 0 C--N 1.363 2.069 0 C-N-CA 128.562 2.982 . . . . 0.0 113.92 168.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 28.2 ttt-85 -79.09 -21.58 46.5 Favored 'General case' 0 C--N 1.36 1.053 0 N-CA-C 114.371 1.248 . . . . 0.0 114.371 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -85.14 -20.19 30.65 Favored 'General case' 0 C--N 1.357 0.904 0 N-CA-C 115.122 1.527 . . . . 0.0 115.122 -171.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 96.39 19.21 28.51 Favored Glycine 0 C--N 1.363 2.063 0 N-CA-C 111.288 -0.725 . . . . 0.0 111.288 -177.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.9 mt -100.49 -42.21 6.67 Favored 'General case' 0 CA--C 1.476 -1.869 0 C-N-CA 124.627 1.171 . . . . 0.0 110.716 179.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 4.9 m -132.84 153.16 51.56 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-O 122.756 1.265 . . . . 0.0 114.354 -176.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.44 ' HZ3' HG12 ' A' ' 93' ' ' ILE . 0.1 OUTLIER -107.74 143.16 36.66 Favored 'General case' 0 C--O 1.218 -0.588 0 C-N-CA 128.277 2.631 . . . . 0.0 106.921 175.611 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -132.08 143.85 38.87 Favored 'Isoleucine or valine' 0 C--N 1.349 0.547 0 O-C-N 118.359 -2.713 . . . . 0.0 113.743 -171.457 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -140.97 154.56 46.1 Favored 'General case' 0 C--N 1.367 1.351 0 C-N-CA 127.088 2.155 . . . . 0.0 110.555 177.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -128.18 139.56 52.41 Favored 'General case' 0 C--N 1.373 1.598 0 O-C-N 120.581 -1.324 . . . . 0.0 111.372 175.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 62.3 p -122.92 174.77 3.14 Favored Pre-proline 0 C--N 1.359 1.018 0 C-N-CA 130.394 3.478 . . . . 0.0 110.331 -177.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -68.58 -1.57 7.73 Favored 'Trans proline' 0 N--CA 1.444 -1.414 0 N-CA-C 118.118 2.315 . . . . 0.0 118.118 165.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -113.99 -3.62 13.32 Favored 'General case' 0 C--N 1.36 1.031 0 CA-C-N 120.363 1.438 . . . . 0.0 112.007 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 141.01 -167.83 25.53 Favored Glycine 0 C--N 1.364 2.088 0 O-C-N 120.637 -1.289 . . . . 0.0 114.637 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.519 ' CE3' HG23 ' A' ' 70' ' ' THR . 68.4 m95 -94.06 126.12 39.1 Favored 'General case' 0 C--N 1.367 1.366 0 C-N-CA 126.725 2.01 . . . . 0.0 109.905 175.447 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -114.16 126.17 54.77 Favored 'General case' 0 CA--C 1.497 -1.064 0 N-CA-C 103.276 -2.861 . . . . 0.0 103.276 -179.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.7 pt -114.41 137.23 48.44 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.116 0 N-CA-C 104.933 -2.247 . . . . 0.0 104.933 178.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -116.04 122.8 46.27 Favored 'General case' 0 CA--C 1.484 -1.563 0 N-CA-C 103.166 -2.902 . . . . 0.0 103.166 169.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . 0.389 5.8 t80 -73.49 147.04 44.45 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.398 1.479 . . . . 0.0 111.22 178.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.44 HG12 ' HZ3' ' A' ' 80' ' ' LYS . 2.8 mt -89.49 120.44 38.23 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.897 1 C-N-CA 133.344 4.658 . . . . 0.0 105.554 -179.852 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . 0.345 13.6 p30 -79.89 91.33 5.38 Favored 'General case' 0 C--N 1.366 1.293 0 CA-C-N 121.009 1.731 . . . . 0.0 111.641 179.519 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.471 ' HE ' ' HA ' ' A' ' 95' ' ' ARG . 1.4 mmp_? -40.12 -85.82 0.0 OUTLIER 'General case' 0 C--N 1.356 0.854 1 C-N-CA 132.672 4.389 . . . . 0.0 114.517 176.706 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -102.75 103.92 35.8 Favored Pre-proline 0 CA--C 1.536 0.439 0 CA-C-O 113.523 -3.132 . . . . 0.0 105.656 160.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -56.12 -25.08 53.0 Favored 'Trans proline' 0 C--N 1.371 1.711 2 C-N-CA 127.121 5.214 . . . . 0.0 117.02 -177.352 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -61.21 -35.27 76.75 Favored 'General case' 0 C--N 1.368 1.385 0 C-N-CA 127.644 2.378 . . . . 0.0 110.008 167.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . 0.268 0.4 OUTLIER -67.76 -41.79 82.78 Favored 'General case' 0 C--N 1.367 1.35 0 O-C-N 119.477 -2.014 . . . . 0.0 112.303 170.914 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.8 mp -65.85 -50.05 72.98 Favored 'Isoleucine or valine' 0 C--N 1.37 1.465 0 CA-C-N 121.805 2.093 . . . . 0.0 111.677 174.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 75.0 mtp180 -69.07 -27.79 65.94 Favored 'General case' 0 C--N 1.365 1.258 0 O-C-N 120.029 -1.67 . . . . 0.0 114.225 177.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 55.8 mtm180 -77.87 -38.18 46.54 Favored 'General case' 0 C--N 1.371 1.537 0 C-N-CA 124.668 1.187 . . . . 0.0 110.57 171.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . 0.357 35.7 mt-30 -61.62 -34.42 75.62 Favored 'General case' 0 C--N 1.375 1.698 0 C-N-CA 125.907 1.683 . . . . 0.0 115.037 175.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.55 -57.41 3.36 Favored 'General case' 0 C--N 1.357 0.915 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 173.493 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -83.48 -58.83 2.66 Favored 'General case' 0 C--N 1.365 1.273 0 N-CA-C 119.898 3.295 . . . . 0.0 119.898 -169.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -83.76 -49.4 9.13 Favored 'General case' 0 C--N 1.364 1.207 0 C-N-CA 128.743 2.817 . . . . 0.0 116.05 -173.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -64.97 -21.06 66.78 Favored 'General case' 0 C--N 1.371 1.514 0 C-N-CA 127.01 2.124 . . . . 0.0 113.373 -177.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -87.51 -1.96 58.29 Favored 'General case' 0 C--N 1.347 0.498 0 CA-C-N 113.152 -1.84 . . . . 0.0 115.003 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -80.94 64.53 5.73 Favored 'General case' 0 C--N 1.352 0.689 0 C-N-CA 127.946 2.498 . . . . 0.0 112.931 177.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -68.7 55.42 0.08 Allowed 'General case' 0 C--N 1.363 1.176 0 C-N-CA 128.851 2.86 . . . . 0.0 116.146 -175.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 65.4 tttm . . . . . 0 C--N 1.355 0.805 0 C-N-CA 125.933 1.693 . . . . 0.0 109.728 -179.512 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.491 -1.437 0 N-CA-C 109.827 -1.309 . . . . 0.0 109.827 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 60.0 mm-40 -128.56 145.47 51.12 Favored 'General case' 0 CA--C 1.506 -0.725 0 C-N-CA 126.006 1.722 . . . . 0.0 107.393 178.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 76.06 30.13 0.74 Allowed 'General case' 0 C--N 1.362 1.116 0 C-N-CA 126.965 2.106 . . . . 0.0 116.007 175.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 10.5 tp-100 -90.95 -46.59 8.08 Favored 'General case' 0 C--N 1.365 1.271 0 C-N-CA 124.79 1.236 . . . . 0.0 112.864 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.8 mt 81.21 48.55 0.02 OUTLIER 'General case' 0 C--N 1.368 1.39 0 C-N-CA 128.772 2.829 . . . . 0.0 109.091 -176.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -96.44 -38.62 9.96 Favored 'General case' 0 C--N 1.36 1.054 0 C-N-CA 126.083 1.753 . . . . 0.0 113.333 -170.491 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.373 3.3 pp 148.37 -23.43 0.0 OUTLIER 'General case' 0 CA--C 1.481 -1.695 1 C-N-CA 132.483 4.313 . . . . 0.0 107.979 -178.71 . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 77.4 -47.15 0.49 Allowed 'General case' 0 C--N 1.36 1.03 0 N-CA-C 117.394 2.368 . . . . 0.0 117.394 170.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.0 m -173.34 -65.85 0.02 OUTLIER 'General case' 0 CA--C 1.506 -0.746 0 C-N-CA 126.306 1.842 . . . . 0.0 109.281 175.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.2 mp0 -100.7 -138.34 0.33 Allowed 'General case' 0 CA--C 1.541 0.605 0 CA-C-O 123.283 1.516 . . . . 0.0 114.279 -177.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -142.92 81.56 12.84 Favored Pre-proline 0 C--N 1.358 0.949 0 O-C-N 118.916 -2.365 . . . . 0.0 112.166 -177.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -74.32 54.87 3.42 Favored 'Trans proline' 0 CA--C 1.549 1.234 0 C-N-CA 123.998 3.132 . . . . 0.0 114.108 176.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -75.75 51.51 0.62 Allowed 'General case' 0 C--N 1.37 1.49 0 C-N-CA 128.357 2.663 . . . . 0.0 110.987 177.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . 0.275 0.0 OUTLIER 61.19 20.88 11.39 Favored 'General case' 0 C--N 1.37 1.48 0 C-N-CA 129.573 3.149 . . . . 0.0 111.389 -165.916 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . 0.295 64.2 m-85 74.26 25.81 1.69 Allowed 'General case' 0 C--N 1.371 1.539 1 C-N-CA 132.898 4.479 . . . . 0.0 112.948 -177.493 . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -60.25 -38.0 82.14 Favored 'General case' 0 C--N 1.381 1.941 0 C-N-CA 128.304 2.642 . . . . 0.0 115.481 -178.69 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -57.02 -54.69 43.89 Favored 'General case' 0 C--N 1.363 1.185 0 C-N-CA 126.166 1.786 . . . . 0.0 114.043 176.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -70.33 -51.82 27.25 Favored 'General case' 0 C--N 1.36 1.032 0 C-N-CA 124.833 1.253 . . . . 0.0 114.346 172.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.266 20.4 m-85 -73.15 -36.13 66.59 Favored 'General case' 0 C--N 1.367 1.36 0 N-CA-C 115.433 1.642 . . . . 0.0 115.433 -175.612 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . 0.277 60.4 p -71.94 -31.8 66.7 Favored 'General case' 0 C--N 1.37 1.465 0 O-C-N 119.693 -1.879 . . . . 0.0 113.489 173.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -70.55 -48.78 53.74 Favored 'General case' 0 C--N 1.369 1.415 0 C-N-CA 124.916 1.287 . . . . 0.0 112.891 170.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -63.72 -44.79 92.55 Favored 'General case' 0 C--N 1.373 1.627 0 C-N-CA 125.375 1.47 . . . . 0.0 114.057 176.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.435 ' CE1' ' CE2' ' A' ' 46' ' ' TYR . 9.0 t80 -65.33 -52.5 53.52 Favored 'General case' 0 C--N 1.377 1.765 0 C-N-CA 126.305 1.842 . . . . 0.0 111.441 173.274 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 55.7 ttp85 -68.13 -28.51 67.38 Favored 'General case' 0 C--N 1.365 1.254 0 CA-C-N 121.703 2.047 . . . . 0.0 115.462 178.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -70.64 -51.62 26.74 Favored 'General case' 0 C--N 1.367 1.341 0 O-C-N 120.126 -1.609 . . . . 0.0 113.485 173.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -76.22 -31.92 58.65 Favored 'General case' 0 C--N 1.368 1.394 0 CA-C-N 119.943 1.247 . . . . 0.0 113.137 178.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.438 ' CE2' HG23 ' A' ' 45' ' ' VAL . 72.1 t80 -71.55 -39.66 70.53 Favored 'General case' 0 C--N 1.361 1.099 0 C-N-CA 125.709 1.604 . . . . 0.0 112.452 175.232 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.63 -46.21 73.16 Favored 'General case' 0 C--N 1.387 2.198 0 CA-C-N 121.721 2.055 . . . . 0.0 109.454 178.006 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -54.78 -50.86 67.45 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 128.11 2.564 . . . . 0.0 115.313 174.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . 0.456 0.0 OUTLIER -75.18 -34.24 61.53 Favored 'General case' 0 C--N 1.374 1.634 0 C-N-CA 126.236 1.815 . . . . 0.0 115.473 175.533 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.6 -53.21 60.26 Favored 'General case' 0 C--N 1.376 1.746 0 C-N-CA 129.61 3.164 . . . . 0.0 110.701 170.301 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 71.9 mtm180 -62.56 -39.45 93.69 Favored 'General case' 0 C--N 1.358 0.952 0 C-N-CA 128.046 2.539 . . . . 0.0 116.696 174.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . 0.292 9.8 ptt-85 -72.26 -53.44 12.5 Favored 'General case' 0 C--N 1.375 1.692 0 CA-C-N 123.161 2.71 . . . . 0.0 117.833 164.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.4 mmt85 -82.3 -30.56 30.48 Favored 'General case' 0 C--N 1.356 0.869 0 O-C-N 120.774 -1.204 . . . . 0.0 114.126 -165.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -113.82 -32.99 5.93 Favored 'General case' 0 C--N 1.357 0.893 0 C-N-CA 125.989 1.716 . . . . 0.0 110.461 -176.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 77.99 -112.54 3.51 Favored Glycine 0 C--N 1.386 3.349 0 O-C-N 119.443 -2.036 . . . . 0.0 111.347 -169.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.47 HG23 ' CD1' ' A' ' 92' ' ' TYR . 5.0 p -127.28 107.95 10.44 Favored 'General case' 0 N--CA 1.437 -1.095 1 N-CA-C 99.856 -4.128 . . . . 0.0 99.856 168.916 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.3 ttmt -147.67 148.2 30.79 Favored 'General case' 0 CA--C 1.497 -1.059 0 C-N-CA 125.104 1.362 . . . . 0.0 107.745 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.31 108.35 4.73 Favored 'General case' 0 C--N 1.363 1.174 0 O-C-N 120.437 -1.415 . . . . 0.0 109.342 170.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.3 p -137.89 155.6 30.42 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.613 0 N-CA-C 103.866 -2.642 . . . . 0.0 103.866 -174.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.419 ' CD2' ' O ' ' A' ' 88' ' ' TRP . 63.8 t-80 -86.14 121.31 28.56 Favored 'General case' 0 C--N 1.353 0.748 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 175.419 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -55.96 -28.11 55.58 Favored 'General case' 0 C--N 1.361 1.082 0 N-CA-C 116.178 1.918 . . . . 0.0 116.178 -173.69 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.385 5.2 t-20 -72.47 -27.67 62.44 Favored 'General case' 0 C--N 1.366 1.284 0 O-C-N 120.591 -1.318 . . . . 0.0 112.537 171.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.9 mt -65.92 -42.98 93.03 Favored 'Isoleucine or valine' 0 C--N 1.366 1.321 0 C-N-CA 127.011 2.124 . . . . 0.0 111.255 170.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.438 HG23 ' CE2' ' A' ' 27' ' ' PHE 0.531 0.9 OUTLIER -74.46 -29.48 24.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 124.543 1.137 . . . . 0.0 112.906 175.835 . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.435 ' CE2' ' CE1' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -65.06 -54.42 30.46 Favored 'General case' 0 C--N 1.382 1.992 0 C-N-CA 127.18 2.192 . . . . 0.0 107.412 169.206 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -59.1 -27.55 65.68 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 117.635 2.457 . . . . 0.0 117.635 175.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -71.77 -40.25 69.4 Favored 'General case' 0 C--N 1.364 1.228 0 C-N-CA 126.27 1.828 . . . . 0.0 112.33 171.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . 0.328 0.2 OUTLIER -69.89 -37.97 76.18 Favored 'General case' 0 CA--C 1.55 0.977 1 C-N-CA 131.776 4.03 . . . . 0.0 113.834 172.481 . . . . . . . . 4 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.601 HG21 ' CD2' ' A' ' 55' ' ' HIS . 0.1 OUTLIER -58.75 -39.11 75.81 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.524 1 C-N-CA 131.788 4.035 . . . . 0.0 114.986 -173.007 . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 33.9 m -91.2 73.01 6.26 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 121.474 0.654 . . . . 0.0 112.52 175.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 40.8 m-70 -159.65 -158.78 0.68 Allowed 'General case' 0 C--N 1.361 1.076 0 C-N-CA 126.819 2.047 . . . . 0.0 107.012 -178.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.17 -24.83 60.6 Favored 'General case' 0 C--N 1.371 1.533 0 C-N-CA 128.082 2.553 . . . . 0.0 116.496 178.05 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -92.16 11.27 26.11 Favored 'General case' 0 N--CA 1.439 -0.996 1 C-N-CA 133.939 4.895 . . . . 0.0 117.839 -168.474 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.601 ' CD2' HG21 ' A' ' 50' ' ' ILE 0.273 10.8 t-80 -52.17 85.27 0.0 OUTLIER 'General case' 0 C--N 1.364 1.226 0 N-CA-C 119.176 3.028 . . . . 0.0 119.176 -175.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 83.1 mt -114.36 130.66 68.27 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.222 1 C-N-CA 131.714 4.006 . . . . 0.0 103.502 176.269 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -110.68 165.87 11.48 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 103.135 -2.913 . . . . 0.0 103.135 169.624 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 42.3 tpp -51.37 -16.21 0.52 Allowed 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 129.612 3.165 . . . . 0.0 117.564 -175.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . 0.271 10.6 m-80 -78.4 -21.85 48.69 Favored 'General case' 0 N--CA 1.415 -2.216 1 C-N-CA 133.672 4.789 . . . . 0.0 112.98 -175.93 . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -92.19 31.29 1.3 Allowed 'General case' 0 C--N 1.37 1.476 0 C-N-CA 128.301 2.64 . . . . 0.0 116.089 179.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . 0.354 3.5 t -160.9 -174.8 4.58 Favored 'General case' 0 C--N 1.362 1.118 0 O-C-N 120.667 -1.271 . . . . 0.0 112.42 -170.688 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -93.57 7.07 46.1 Favored 'General case' 0 C--N 1.369 1.434 0 C-N-CA 131.198 3.799 . . . . 0.0 114.711 -172.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.416 ' CD2' ' HB2' ' A' ' 69' ' ' PHE . 0.9 OUTLIER -109.17 152.65 24.85 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 128.604 2.761 . . . . 0.0 105.099 177.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -117.98 -56.73 2.16 Favored 'General case' 0 C--N 1.358 0.941 0 CA-C-N 120.697 1.59 . . . . 0.0 114.284 -175.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 70.1 p -87.6 -64.84 1.09 Allowed 'General case' 0 C--N 1.356 0.852 0 C-N-CA 126.067 1.747 . . . . 0.0 114.112 -171.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . 0.25 1.9 tp 173.97 -34.91 0.0 OUTLIER 'General case' 0 CA--C 1.506 -0.728 0 C-N-CA 130.441 3.496 . . . . 0.0 102.37 174.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.506 HG21 ' CZ2' ' A' ' 88' ' ' TRP . 13.5 m -56.42 -44.4 80.32 Favored 'General case' 0 CA--C 1.484 -1.566 1 C-N-CA 133.07 4.548 . . . . 0.0 113.501 -173.783 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.4 -28.89 63.27 Favored 'General case' 0 C--N 1.344 0.352 0 N-CA-C 116.436 2.013 . . . . 0.0 116.436 175.322 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.416 ' HB2' ' CD2' ' A' ' 63' ' ' TRP . 20.2 t80 -76.18 -32.85 59.23 Favored 'General case' 0 C--N 1.364 1.236 0 C-N-CA 125.595 1.558 . . . . 0.0 109.961 171.639 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . 0.309 0.6 OUTLIER -72.23 -36.21 69.07 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 126.398 1.879 . . . . 0.0 111.066 174.867 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 25.1 mmtt -62.27 -39.09 91.76 Favored 'General case' 0 C--N 1.377 1.798 0 N-CA-C 115.45 1.648 . . . . 0.0 115.45 166.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 91.5 t90 -80.57 -55.0 5.16 Favored 'General case' 0 C--N 1.362 1.142 0 C-N-CA 126.02 1.728 . . . . 0.0 113.89 -179.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.421 ' HG ' ' HG ' ' A' ' 79' ' ' CYS . 0.3 OUTLIER -65.62 -35.28 80.35 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 128.403 2.681 . . . . 0.0 116.221 177.913 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -62.04 -27.21 68.46 Favored Glycine 0 C--N 1.359 1.844 0 C-N-CA 128.067 2.746 . . . . 0.0 114.795 166.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 31.2 ttp180 -73.99 -27.63 61.07 Favored 'General case' 0 C--N 1.361 1.097 0 N-CA-C 114.948 1.462 . . . . 0.0 114.948 179.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -82.79 -20.71 35.26 Favored 'General case' 0 C--N 1.356 0.85 0 N-CA-C 116.915 2.191 . . . . 0.0 116.915 -169.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.59 20.86 15.9 Favored Glycine 0 C--N 1.363 2.037 0 O-C-N 121.185 -0.947 . . . . 0.0 111.36 -177.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.92 -43.1 4.95 Favored 'General case' 0 CA--C 1.468 -2.182 0 C-N-CA 123.868 0.867 . . . . 0.0 110.55 177.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.421 ' HG ' ' HG ' ' A' ' 73' ' ' LEU . 13.1 m -128.53 147.37 50.69 Favored 'General case' 0 C--O 1.224 -0.271 0 N-CA-C 116.296 1.961 . . . . 0.0 116.296 -176.39 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -103.18 143.39 32.69 Favored 'General case' 0 C--N 1.359 0.98 0 C-N-CA 127.641 2.376 . . . . 0.0 107.754 172.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -131.28 142.16 44.1 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 O-C-N 119.084 -2.26 . . . . 0.0 112.943 -172.36 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -143.26 151.35 40.46 Favored 'General case' 0 C--N 1.364 1.206 0 C-N-CA 124.958 1.303 . . . . 0.0 110.132 174.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -122.96 139.49 54.01 Favored 'General case' 0 C--N 1.367 1.361 0 O-C-N 120.135 -1.603 . . . . 0.0 110.529 178.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 43.5 p -123.26 174.96 3.04 Favored Pre-proline 0 C--N 1.359 1.006 0 C-N-CA 129.262 3.025 . . . . 0.0 109.907 -177.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -68.94 -1.62 8.12 Favored 'Trans proline' 0 N--CA 1.442 -1.537 0 N-CA-C 118.176 2.337 . . . . 0.0 118.176 166.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 29.4 ttpt -112.78 -5.9 13.87 Favored 'General case' 0 C--N 1.361 1.092 0 CA-C-N 120.189 1.359 . . . . 0.0 112.464 -179.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 149.74 -164.35 29.49 Favored Glycine 0 C--N 1.362 2.012 0 O-C-N 120.635 -1.291 . . . . 0.0 115.126 -178.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.506 ' CZ2' HG21 ' A' ' 67' ' ' THR . 15.2 m95 -101.87 119.4 38.72 Favored 'General case' 0 C--N 1.364 1.236 0 C-N-CA 127.949 2.5 . . . . 0.0 107.52 175.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -114.54 125.8 54.2 Favored 'General case' 0 CA--C 1.501 -0.927 0 N-CA-C 105.471 -2.048 . . . . 0.0 105.471 -178.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -116.2 137.56 49.56 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.935 0 C-N-CA 127.178 2.191 . . . . 0.0 105.907 178.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -122.42 124.98 44.89 Favored 'General case' 0 N--CA 1.429 -1.522 0 N-CA-C 103.054 -2.943 . . . . 0.0 103.054 172.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.47 ' CD1' HG23 ' A' ' 37' ' ' THR 0.511 0.4 OUTLIER -74.23 147.24 42.65 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 125.667 1.587 . . . . 0.0 112.701 -179.781 . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 5.4 mt -86.81 119.99 35.58 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.95 1 C-N-CA 133.683 4.793 . . . . 0.0 105.458 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . 0.284 14.0 p30 -76.68 84.88 3.32 Favored 'General case' 0 C--N 1.36 1.036 0 O-C-N 119.872 -1.767 . . . . 0.0 113.85 -178.546 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 -37.82 -86.47 0.0 OUTLIER 'General case' 0 C--N 1.367 1.333 0 C-N-CA 131.526 3.93 . . . . 0.0 115.251 177.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -103.03 106.78 52.56 Favored Pre-proline 0 CA--C 1.533 0.302 0 CA-C-O 112.9 -3.428 . . . . 0.0 105.907 158.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -53.86 -25.92 37.33 Favored 'Trans proline' 0 C--N 1.374 1.905 2 C-N-CA 127.563 5.509 . . . . 0.0 116.838 -178.124 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -54.67 -43.69 72.64 Favored 'General case' 0 C--N 1.362 1.147 0 C-N-CA 129.223 3.009 . . . . 0.0 110.598 166.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -57.99 -44.52 87.22 Favored 'General case' 0 C--N 1.37 1.459 0 O-C-N 119.726 -1.859 . . . . 0.0 113.74 175.16 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.7 mp -68.37 -50.13 59.89 Favored 'Isoleucine or valine' 0 C--N 1.361 1.071 0 C-N-CA 128.981 2.912 . . . . 0.0 111.96 174.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -63.87 -35.97 82.41 Favored 'General case' 0 C--N 1.367 1.339 0 O-C-N 120.01 -1.681 . . . . 0.0 113.656 176.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 11.6 mmp_? -73.15 -40.02 65.22 Favored 'General case' 0 C--N 1.367 1.342 0 C-N-CA 125.122 1.369 . . . . 0.0 110.355 170.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . 0.389 28.1 mt-30 -62.28 -35.78 80.06 Favored 'General case' 0 C--N 1.372 1.572 0 N-CA-C 116.228 1.936 . . . . 0.0 116.228 174.243 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.61 -53.01 6.6 Favored 'General case' 0 C--N 1.356 0.85 0 O-C-N 120.511 -1.368 . . . . 0.0 112.241 175.606 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -78.08 -42.3 32.58 Favored 'General case' 0 C--N 1.36 1.062 0 N-CA-C 117.819 2.526 . . . . 0.0 117.819 -172.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 10.7 mt -83.28 -47.54 11.41 Favored 'General case' 0 C--N 1.362 1.147 0 C-N-CA 124.8 1.24 . . . . 0.0 114.294 -178.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -67.84 -17.58 64.54 Favored 'General case' 0 C--N 1.364 1.198 0 C-N-CA 127.613 2.365 . . . . 0.0 113.82 -178.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -130.33 41.23 3.43 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 112.965 -1.925 . . . . 0.0 112.504 177.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -82.63 68.61 9.16 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 127.136 2.175 . . . . 0.0 114.531 -176.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm -73.79 55.96 0.54 Allowed 'General case' 0 C--N 1.35 0.592 0 N-CA-C 117.046 2.239 . . . . 0.0 117.046 -176.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp . . . . . 0 C--N 1.359 0.996 0 C-N-CA 126.09 1.756 . . . . 0.0 110.14 176.556 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.494 -1.265 0 N-CA-C 109.296 -1.521 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -154.49 -179.78 8.29 Favored 'General case' 0 C--N 1.352 0.692 0 C-N-CA 124.971 1.308 . . . . 0.0 108.46 -178.38 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . 0.273 15.9 tpt180 76.37 -42.23 0.43 Allowed 'General case' 0 C--N 1.361 1.073 0 C-N-CA 128.609 2.764 . . . . 0.0 117.379 173.229 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 12.7 tp60 -82.4 -40.67 20.95 Favored 'General case' 0 C--N 1.36 1.031 0 C-N-CA 128.125 2.57 . . . . 0.0 111.183 175.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.0 mt 80.39 71.02 0.03 OUTLIER 'General case' 0 C--N 1.362 1.124 0 C-N-CA 129.511 3.124 . . . . 0.0 111.911 -178.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -57.1 152.45 13.37 Favored 'General case' 0 C--N 1.367 1.331 0 C-N-CA 129.761 3.224 . . . . 0.0 117.466 -176.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 69.7 mt -112.2 13.21 20.48 Favored 'General case' 0 C--N 1.363 1.158 0 N-CA-C 114.845 1.424 . . . . 0.0 114.845 -177.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 65.78 -30.9 0.14 Allowed 'General case' 0 C--N 1.357 0.916 0 N-CA-C 120.433 3.494 . . . . 0.0 120.433 170.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.3 p -56.83 -76.57 0.03 OUTLIER 'General case' 0 C--N 1.363 1.162 1 C-N-CA 133.143 4.577 . . . . 0.0 114.823 178.498 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -115.56 124.58 51.37 Favored 'General case' 0 CA--C 1.509 -0.602 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 171.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -110.49 104.9 56.68 Favored Pre-proline 0 N--CA 1.442 -0.857 0 C-N-CA 125.936 1.694 . . . . 0.0 110.532 -177.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -64.58 58.04 0.26 Allowed 'Trans proline' 0 CA--C 1.547 1.164 1 C-N-CA 126.113 4.542 . . . . 0.0 117.492 177.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -78.32 59.9 2.42 Favored 'General case' 0 C--N 1.366 1.287 0 C-N-CA 129.439 3.096 . . . . 0.0 109.385 177.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . 0.388 31.9 mt-30 61.21 16.0 6.86 Favored 'General case' 0 C--N 1.366 1.292 0 C-N-CA 131.608 3.963 . . . . 0.0 113.328 -167.322 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . 0.302 48.3 m-85 81.78 27.05 0.18 Allowed 'General case' 0 C--N 1.366 1.321 0 C-N-CA 130.765 3.626 . . . . 0.0 112.239 178.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 12.4 tpt -41.6 -37.96 1.25 Allowed 'General case' 0 C--N 1.379 1.856 1 C-N-CA 133.26 4.624 . . . . 0.0 116.503 175.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -58.93 -36.07 74.15 Favored 'General case' 0 C--N 1.362 1.144 0 C-N-CA 126.875 2.07 . . . . 0.0 115.01 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -70.07 -52.08 26.77 Favored 'General case' 0 C--N 1.36 1.058 0 C-N-CA 126.563 1.945 . . . . 0.0 113.644 175.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -73.83 -40.52 63.28 Favored 'General case' 0 C--N 1.355 0.847 0 C-N-CA 127.978 2.511 . . . . 0.0 114.112 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . 0.352 79.5 p -72.55 -30.78 64.72 Favored 'General case' 0 C--N 1.37 1.492 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 177.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -70.46 -41.93 72.14 Favored 'General case' 0 C--N 1.366 1.302 0 CA-C-N 120.67 1.577 . . . . 0.0 113.752 170.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -67.9 -45.84 73.3 Favored 'General case' 0 C--N 1.365 1.275 0 CA-C-N 121.482 1.947 . . . . 0.0 113.394 174.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.462 ' CZ ' ' CE2' ' A' ' 46' ' ' TYR . 14.0 t80 -63.91 -52.1 61.45 Favored 'General case' 0 C--N 1.371 1.519 0 C-N-CA 124.814 1.246 . . . . 0.0 112.349 173.63 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.344 0.0 OUTLIER -69.89 -28.97 66.07 Favored 'General case' 0 C--N 1.363 1.153 0 CA-C-N 121.094 1.77 . . . . 0.0 115.6 175.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -67.3 -52.41 40.92 Favored 'General case' 0 C--N 1.375 1.694 0 O-C-N 119.011 -2.306 . . . . 0.0 112.579 171.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -76.23 -50.92 13.18 Favored 'General case' 0 C--N 1.36 1.033 0 N-CA-C 115.567 1.691 . . . . 0.0 115.567 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -62.15 -46.07 90.6 Favored 'General case' 0 C--N 1.369 1.45 0 C-N-CA 126.839 2.055 . . . . 0.0 112.878 176.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . 0.346 0.0 OUTLIER -67.85 -32.73 73.46 Favored 'General case' 0 C--N 1.371 1.53 0 CA-C-N 119.457 1.026 . . . . 0.0 112.4 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -65.55 -48.63 71.79 Favored 'General case' 0 C--N 1.385 2.118 0 C-N-CA 125.535 1.534 . . . . 0.0 115.072 168.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 tt -65.34 -34.78 79.14 Favored 'General case' 0 C--N 1.358 0.937 0 C-N-CA 128.918 2.887 . . . . 0.0 113.319 178.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 tt -64.14 -51.91 61.61 Favored 'General case' 0 C--N 1.365 1.252 0 C-N-CA 130.219 3.408 . . . . 0.0 109.41 169.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 33.7 mtm180 -59.31 -46.11 89.46 Favored 'General case' 0 C--N 1.369 1.443 0 C-N-CA 127.09 2.156 . . . . 0.0 116.493 173.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . 0.415 0.8 OUTLIER -73.1 -53.2 11.65 Favored 'General case' 0 C--N 1.365 1.279 0 N-CA-C 121.781 3.993 . . . . 0.0 121.781 169.531 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.4 mtt180 -82.91 -35.07 26.42 Favored 'General case' 0 C--N 1.349 0.563 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 -171.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -107.51 -37.47 6.19 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 125.548 1.539 . . . . 0.0 110.69 -176.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 78.05 -104.35 2.0 Favored Glycine 0 C--N 1.38 3.008 0 CA-C-O 124.293 2.051 . . . . 0.0 110.618 -169.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.7 p -134.85 108.15 7.77 Favored 'General case' 0 N--CA 1.437 -1.09 0 N-CA-C 103.485 -2.783 . . . . 0.0 103.485 171.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -147.42 152.11 37.58 Favored 'General case' 0 CA--C 1.51 -0.591 0 C-N-CA 125.525 1.53 . . . . 0.0 107.815 178.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.12 108.37 11.37 Favored 'General case' 0 C--N 1.363 1.175 0 C-N-CA 125.445 1.498 . . . . 0.0 110.298 172.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.7 p -149.26 152.61 11.82 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.246 0 N-CA-C 105.32 -2.104 . . . . 0.0 105.32 -173.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.451 ' HE1' ' HG ' ' A' ' 66' ' ' LEU . 0.8 OUTLIER -84.0 138.0 33.33 Favored 'General case' 0 C--N 1.367 1.361 0 CA-C-O 123.308 1.528 . . . . 0.0 109.02 177.901 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.441 ' HB2' HD23 ' A' ' 66' ' ' LEU . 0.9 OUTLIER -57.21 -29.49 63.77 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 115.447 1.647 . . . . 0.0 115.447 -179.389 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -67.24 -27.76 67.49 Favored 'General case' 0 C--N 1.367 1.351 0 C-N-CA 128.352 2.661 . . . . 0.0 111.953 176.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.8 mt -75.88 -41.76 39.48 Favored 'Isoleucine or valine' 0 C--N 1.366 1.313 0 C-N-CA 125.967 1.707 . . . . 0.0 110.189 170.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.4 m -73.17 -38.64 55.19 Favored 'Isoleucine or valine' 0 C--N 1.37 1.492 0 C-N-CA 124.771 1.228 . . . . 0.0 113.018 179.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.462 ' CE2' ' CZ ' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -60.02 -51.34 70.05 Favored 'General case' 0 C--N 1.385 2.143 0 C-N-CA 129.305 3.042 . . . . 0.0 110.849 176.329 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -63.1 -26.41 68.82 Favored 'General case' 0 C--N 1.363 1.181 0 C-N-CA 130.005 3.322 . . . . 0.0 113.851 174.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -78.3 -42.07 31.91 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 125.19 1.396 . . . . 0.0 112.119 173.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.419 ' CE1' ' CG2' ' A' ' 50' ' ' ILE 0.266 0.4 OUTLIER -64.84 -48.13 75.45 Favored 'General case' 0 C--N 1.358 0.97 0 C-N-CA 130.671 3.588 . . . . 0.0 113.205 177.663 . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.443 ' CD1' ' CE1' ' A' ' 57' ' ' HIS . 8.9 pt -80.42 -1.35 4.68 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.773 1 N-CA-C 121.919 4.044 . . . . 0.0 121.919 -175.087 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.5 t -79.86 0.9 29.13 Favored 'General case' 0 CA--C 1.554 1.124 0 C-N-CA 124.027 0.931 . . . . 0.0 112.74 174.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -94.91 -164.97 1.23 Allowed 'General case' 0 CA--C 1.554 1.127 1 C-N-CA 132.282 4.233 . . . . 0.0 106.717 172.168 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.8 -39.75 86.03 Favored 'General case' 0 C--N 1.371 1.515 0 N-CA-C 118.308 2.707 . . . . 0.0 118.308 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -64.0 11.67 0.04 OUTLIER 'General case' 0 CA--C 1.497 -1.074 1 C-N-CA 135.851 5.66 . . . . 0.0 121.58 -169.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.408 ' HD2' ' HB ' ' A' ' 50' ' ' ILE 0.309 32.1 t-80 -46.43 98.87 0.02 OUTLIER 'General case' 0 C--N 1.367 1.358 0 N-CA-C 117.291 2.33 . . . . 0.0 117.291 179.451 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.431 ' O ' HG23 ' A' ' 50' ' ' ILE . 30.9 mt -130.75 157.58 43.08 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.269 2 C-N-CA 133.786 4.835 . . . . 0.0 99.897 -179.349 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.443 ' CE1' ' CD1' ' A' ' 50' ' ' ILE . 0.1 OUTLIER -134.09 156.85 47.53 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 102.716 -3.068 . . . . 0.0 102.716 166.121 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.51 -13.01 0.19 Allowed 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 130.104 3.362 . . . . 0.0 119.61 -172.416 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.429 HD21 ' HB3' ' A' ' 57' ' ' HIS 0.268 21.9 m-80 -81.1 -25.78 36.73 Favored 'General case' 0 N--CA 1.427 -1.588 1 C-N-CA 134.588 5.155 . . . . 0.0 109.149 -177.955 . . . . . . . . 4 3 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -84.92 51.19 2.09 Favored 'General case' 0 C--N 1.382 2.004 0 C-N-CA 127.437 2.295 . . . . 0.0 111.987 168.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 14.3 p -145.85 -169.62 3.28 Favored 'General case' 0 C--N 1.354 0.785 0 O-C-N 120.724 -1.235 . . . . 0.0 109.652 -173.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 24.9 pt20 -97.58 1.16 48.53 Favored 'General case' 0 C--N 1.371 1.524 0 C-N-CA 125.79 1.636 . . . . 0.0 110.908 171.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 1.9 m-90 -103.25 110.51 22.52 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 127.956 2.502 . . . . 0.0 108.491 -173.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -73.28 -12.4 60.84 Favored 'General case' 0 C--N 1.367 1.361 0 C-N-CA 126.474 1.91 . . . . 0.0 115.592 -175.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 t -160.6 158.19 28.56 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 102.037 -3.32 . . . . 0.0 102.037 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.451 ' HG ' ' HE1' ' A' ' 41' ' ' HIS . 8.7 tp -56.18 -30.74 62.65 Favored 'General case' 0 C--N 1.369 1.454 0 C-N-CA 130.68 3.592 . . . . 0.0 115.583 -173.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.603 ' CG2' ' HZ3' ' A' ' 71' ' ' LYS . 93.3 m -58.75 -40.66 84.52 Favored 'General case' 0 C--N 1.347 0.486 1 C-N-CA 131.728 4.011 . . . . 0.0 114.452 174.759 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -72.87 -27.7 62.07 Favored 'General case' 0 C--N 1.362 1.117 0 C-N-CA 126.434 1.894 . . . . 0.0 115.439 176.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -72.79 -38.21 67.31 Favored 'General case' 0 C--N 1.359 0.99 0 C-N-CA 128.412 2.685 . . . . 0.0 109.517 173.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.445 ' HB ' ' CZ3' ' A' ' 88' ' ' TRP 0.319 0.6 OUTLIER -72.17 -34.32 68.36 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 126.488 1.915 . . . . 0.0 113.028 176.825 . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.603 ' HZ3' ' CG2' ' A' ' 67' ' ' THR . 16.2 mmtm -62.88 -41.15 99.3 Favored 'General case' 0 C--N 1.375 1.696 0 C-N-CA 126.171 1.788 . . . . 0.0 114.046 167.555 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 89.0 t90 -76.69 -48.63 18.31 Favored 'General case' 0 C--N 1.373 1.611 0 C-N-CA 126.742 2.017 . . . . 0.0 112.823 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.467 ' HG ' ' SG ' ' A' ' 79' ' ' CYS 0.526 0.0 OUTLIER -65.62 -34.07 77.37 Favored 'General case' 0 C--N 1.358 0.948 0 C-N-CA 126.786 2.034 . . . . 0.0 115.488 176.651 . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -63.63 -28.05 71.94 Favored Glycine 0 C--N 1.367 2.305 0 C-N-CA 128.314 2.864 . . . . 0.0 115.094 163.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 36.4 ttt85 -76.74 -36.59 57.0 Favored 'General case' 0 C--N 1.36 1.042 0 C-N-CA 126.103 1.761 . . . . 0.0 113.658 177.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -72.86 -13.4 61.27 Favored 'General case' 0 C--N 1.363 1.162 0 N-CA-C 116.454 2.02 . . . . 0.0 116.454 -174.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 90.21 17.54 52.89 Favored Glycine 0 C--N 1.357 1.74 0 C-N-CA 124.626 1.108 . . . . 0.0 113.851 178.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.26 -25.22 12.05 Favored 'General case' 0 CA--C 1.486 -1.492 0 C-N-CA 125.233 1.413 . . . . 0.0 111.678 -179.195 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.467 ' SG ' ' HG ' ' A' ' 73' ' ' LEU . 2.7 m -140.27 139.91 35.61 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-N 122.522 2.419 . . . . 0.0 111.986 -179.199 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 83.5 mttt -98.58 115.32 28.37 Favored 'General case' 0 C--N 1.357 0.934 0 O-C-N 120.362 -1.461 . . . . 0.0 109.624 173.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -99.99 151.61 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 O-C-N 118.634 -2.541 . . . . 0.0 113.957 -175.593 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -148.2 154.24 39.85 Favored 'General case' 0 C--N 1.356 0.878 0 CA-C-N 113.25 -1.795 . . . . 0.0 110.703 173.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 77.6 tt0 -119.5 140.26 50.77 Favored 'General case' 0 C--N 1.368 1.38 0 CA-C-O 123.02 1.39 . . . . 0.0 112.629 -177.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 72.8 p -119.56 177.42 1.38 Allowed Pre-proline 0 CA--C 1.504 -0.79 0 C-N-CA 130.777 3.631 . . . . 0.0 110.572 -178.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -71.53 -4.44 15.02 Favored 'Trans proline' 0 N--CA 1.442 -1.512 0 N-CA-C 117.877 2.222 . . . . 0.0 117.877 165.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 54.0 mttp -116.32 -5.73 11.8 Favored 'General case' 0 C--N 1.363 1.157 0 CA-C-N 120.974 1.715 . . . . 0.0 114.334 -176.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 155.62 -172.38 33.7 Favored Glycine 0 C--N 1.354 1.563 0 O-C-N 120.574 -1.329 . . . . 0.0 113.001 -178.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.445 ' CZ3' ' HB ' ' A' ' 70' ' ' THR . 6.1 m95 -102.42 110.04 21.87 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 127.885 2.474 . . . . 0.0 109.973 179.24 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -104.58 133.19 49.86 Favored 'General case' 0 C--N 1.362 1.137 0 C-N-CA 126.094 1.758 . . . . 0.0 107.232 -176.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.4 pt -118.85 136.23 56.7 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.603 0 N-CA-C 104.854 -2.276 . . . . 0.0 104.854 -175.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -117.4 122.54 44.11 Favored 'General case' 0 CA--C 1.496 -1.12 0 N-CA-C 102.556 -3.128 . . . . 0.0 102.556 169.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . 0.3 86.0 t80 -71.42 147.95 47.39 Favored 'General case' 0 N--CA 1.44 -0.928 0 C-N-CA 127.085 2.154 . . . . 0.0 113.249 -178.111 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 34.8 mm -86.66 116.8 29.88 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.853 0 C-N-CA 131.012 3.725 . . . . 0.0 104.589 175.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . 0.342 46.3 p-10 -79.53 95.53 5.87 Favored 'General case' 0 C--N 1.361 1.087 0 O-C-N 120.538 -1.351 . . . . 0.0 111.657 -179.554 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . 0.259 23.9 mmm180 -35.86 -93.14 0.0 OUTLIER 'General case' 0 C--N 1.359 0.982 1 C-N-CA 134.54 5.136 . . . . 0.0 114.292 179.088 . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -102.29 115.56 64.34 Favored Pre-proline 0 N--CA 1.447 -0.586 0 CA-C-O 114.546 -2.645 . . . . 0.0 104.207 156.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -58.23 -21.6 52.83 Favored 'Trans proline' 0 C--N 1.358 1.034 1 C-N-CA 126.959 5.106 . . . . 0.0 115.782 179.003 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -67.52 -20.22 65.41 Favored 'General case' 0 C--N 1.365 1.274 0 C-N-CA 127.951 2.5 . . . . 0.0 111.142 167.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . 0.258 0.4 OUTLIER -76.54 -53.03 8.63 Favored 'General case' 0 C--N 1.368 1.397 0 C-N-CA 125.733 1.613 . . . . 0.0 109.135 167.603 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.84 -51.17 73.79 Favored 'Isoleucine or valine' 0 C--N 1.382 2.013 0 C-N-CA 129.216 3.006 . . . . 0.0 112.578 177.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 26.2 mmt85 -72.99 -21.5 60.83 Favored 'General case' 0 C--N 1.358 0.978 0 O-C-N 119.375 -2.078 . . . . 0.0 113.566 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -82.0 -37.83 25.98 Favored 'General case' 0 C--N 1.369 1.452 0 C-N-CA 124.773 1.229 . . . . 0.0 109.099 171.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . 0.441 37.9 mt-30 -60.37 -46.54 89.59 Favored 'General case' 0 C--N 1.37 1.473 0 C-N-CA 129.071 2.948 . . . . 0.0 113.636 172.101 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . 0.254 0.0 OUTLIER -82.22 -50.8 8.58 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 115.901 1.815 . . . . 0.0 115.901 174.89 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -82.96 -53.01 6.16 Favored 'General case' 0 C--N 1.362 1.152 0 N-CA-C 117.881 2.548 . . . . 0.0 117.881 -171.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 2.5 mt -83.39 -53.17 5.92 Favored 'General case' 0 C--N 1.359 1.014 0 C-N-CA 126.461 1.904 . . . . 0.0 116.095 -175.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -57.64 -30.18 65.17 Favored 'General case' 0 C--N 1.374 1.641 0 C-N-CA 128.285 2.634 . . . . 0.0 114.262 -177.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -82.95 -8.23 59.59 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 113.376 -1.738 . . . . 0.0 115.202 -174.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 44.3 mmtm -80.44 51.71 1.5 Allowed 'General case' 0 C--N 1.359 1.002 0 C-N-CA 129.32 3.048 . . . . 0.0 114.362 -178.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -104.13 121.87 44.14 Favored 'General case' 0 C--N 1.35 0.623 0 C-N-CA 127.202 2.201 . . . . 0.0 110.889 -178.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 54.2 pttt . . . . . 0 C--N 1.352 0.706 0 N-CA-C 106.546 -1.65 . . . . 0.0 106.546 179.893 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.493 -1.335 0 N-CA-C 109.745 -1.342 . . . . 0.0 109.745 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -123.59 144.25 49.71 Favored 'General case' 0 C--N 1.352 0.707 0 C-N-CA 126.019 1.728 . . . . 0.0 108.979 177.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 42.63 -66.67 0.0 OUTLIER 'General case' 0 C--N 1.359 1.021 0 N-CA-C 121.777 3.991 . . . . 0.0 121.777 170.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -80.19 -29.08 38.59 Favored 'General case' 0 C--N 1.358 0.975 0 C-N-CA 127.131 2.172 . . . . 0.0 111.195 177.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 mm? 75.63 44.98 0.14 Allowed 'General case' 0 C--N 1.371 1.527 0 C-N-CA 130.263 3.425 . . . . 0.0 109.145 -176.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -85.93 -42.79 13.76 Favored 'General case' 0 C--N 1.358 0.945 0 C-N-CA 127.757 2.423 . . . . 0.0 115.636 -171.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.332 18.5 tp 74.19 -38.69 0.4 Allowed 'General case' 0 C--N 1.364 1.208 0 N-CA-C 117.487 2.403 . . . . 0.0 117.487 178.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 87.95 10.77 0.12 Allowed 'General case' 0 C--N 1.357 0.909 0 C-N-CA 126.955 2.102 . . . . 0.0 114.064 170.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.1 t 179.35 -157.52 0.03 OUTLIER 'General case' 0 C--N 1.352 0.686 0 N-CA-C 100.73 -3.804 . . . . 0.0 100.73 -177.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -121.79 -159.94 0.84 Allowed 'General case' 0 C--N 1.354 0.783 0 CA-C-N 120.934 1.697 . . . . 0.0 111.566 176.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 69.73 63.62 0.52 Allowed Pre-proline 0 C--N 1.356 0.89 0 C-N-CA 129.502 3.121 . . . . 0.0 114.012 -177.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -74.18 70.92 4.52 Favored 'Trans proline' 0 C--N 1.363 1.3 0 C-N-CA 125.052 3.835 . . . . 0.0 112.201 178.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -72.13 -53.33 13.06 Favored 'General case' 0 C--N 1.356 0.853 0 C-N-CA 129.598 3.159 . . . . 0.0 112.819 179.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -80.88 -6.8 59.1 Favored 'General case' 0 C--N 1.354 0.774 0 C-N-CA 127.547 2.339 . . . . 0.0 111.81 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -119.97 18.24 12.48 Favored 'General case' 0 C--N 1.36 1.049 0 C-N-CA 126.206 1.802 . . . . 0.0 109.71 178.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.7 tmt? -71.48 -26.26 62.63 Favored 'General case' 0 C--N 1.378 1.81 0 C-N-CA 128.8 2.84 . . . . 0.0 110.125 175.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -63.0 -32.55 73.94 Favored 'General case' 0 C--N 1.365 1.245 0 C-N-CA 127.193 2.197 . . . . 0.0 114.385 177.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -69.87 -52.65 23.02 Favored 'General case' 0 C--N 1.366 1.319 0 C-N-CA 127.089 2.156 . . . . 0.0 113.453 176.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 -73.73 -34.0 64.59 Favored 'General case' 0 C--N 1.356 0.865 0 C-N-CA 129.044 2.938 . . . . 0.0 113.323 178.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . 0.321 5.9 m -70.72 -29.42 65.69 Favored 'General case' 0 C--N 1.365 1.257 0 C-N-CA 126.004 1.721 . . . . 0.0 113.98 173.144 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -65.2 -40.18 93.83 Favored 'General case' 0 C--N 1.369 1.456 0 O-C-N 120.714 -1.241 . . . . 0.0 113.169 172.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -74.97 -49.96 18.26 Favored 'General case' 0 C--N 1.364 1.23 0 C-N-CA 125.849 1.66 . . . . 0.0 112.761 171.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.448 ' CZ ' ' CZ ' ' A' ' 46' ' ' TYR . 12.9 t80 -66.55 -52.8 41.74 Favored 'General case' 0 C--N 1.371 1.543 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 -178.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.405 HH11 ' HG ' ' A' ' 28' ' ' LEU 0.386 0.0 OUTLIER -66.03 -38.69 89.04 Favored 'General case' 0 C--N 1.359 1.0 0 O-C-N 120.153 -1.592 . . . . 0.0 115.208 178.791 . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -70.91 -51.16 27.78 Favored 'General case' 0 C--N 1.358 0.953 0 O-C-N 119.455 -2.028 . . . . 0.0 115.525 173.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -74.41 -39.55 62.57 Favored 'General case' 0 C--N 1.37 1.457 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 -178.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -66.98 -44.87 79.33 Favored 'General case' 0 C--N 1.373 1.619 0 C-N-CA 126.023 1.729 . . . . 0.0 111.269 176.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.405 ' HG ' HH11 ' A' ' 24' ' ' ARG . 16.7 mt -66.81 -35.68 80.61 Favored 'General case' 0 C--N 1.379 1.85 0 CA-C-N 119.983 1.265 . . . . 0.0 112.811 172.133 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -60.4 -54.1 49.63 Favored 'General case' 0 C--N 1.366 1.309 0 N-CA-C 115.439 1.644 . . . . 0.0 115.439 172.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -34.81 73.09 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 125.886 1.674 . . . . 0.0 114.764 178.195 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.473 HD13 ' CD2' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -60.6 -53.82 52.87 Favored 'General case' 0 C--N 1.373 1.616 0 C-N-CA 127.266 2.226 . . . . 0.0 110.864 170.814 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.3 mtm180 -63.45 -38.44 91.14 Favored 'General case' 0 C--N 1.365 1.24 0 N-CA-C 114.984 1.475 . . . . 0.0 114.984 -176.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . 0.27 2.6 ptt180 -71.68 -51.44 23.01 Favored 'General case' 0 C--N 1.374 1.665 0 N-CA-C 116.947 2.203 . . . . 0.0 116.947 165.005 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 -79.71 -28.73 40.57 Favored 'General case' 0 C--N 1.358 0.967 0 N-CA-C 114.516 1.302 . . . . 0.0 114.516 -167.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -117.55 -31.25 5.27 Favored 'General case' 0 C--N 1.359 1.005 0 C-N-CA 125.034 1.334 . . . . 0.0 112.243 -175.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 75.36 -116.85 5.08 Favored Glycine 0 C--N 1.378 2.912 0 C-N-CA 125.595 1.569 . . . . 0.0 113.696 -174.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.0 p -124.88 108.11 11.58 Favored 'General case' 0 N--CA 1.441 -0.903 0 N-CA-C 100.693 -3.817 . . . . 0.0 100.693 169.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -157.82 142.44 16.36 Favored 'General case' 0 CA--C 1.493 -1.247 0 N-CA-C 104.308 -2.478 . . . . 0.0 104.308 -175.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.85 107.88 4.22 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-O 123.114 1.435 . . . . 0.0 112.068 175.197 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.7 p -141.46 145.79 24.19 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.071 0 O-C-N 120.082 -1.636 . . . . 0.0 106.877 -176.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -68.45 135.81 52.26 Favored 'General case' 0 N--CA 1.444 -0.731 0 C-N-CA 127.917 2.487 . . . . 0.0 112.662 -179.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -65.8 -29.64 70.15 Favored 'General case' 0 C--N 1.361 1.078 0 N-CA-C 116.819 2.155 . . . . 0.0 116.819 -175.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -66.8 -27.02 67.23 Favored 'General case' 0 C--N 1.361 1.075 0 C-N-CA 125.408 1.483 . . . . 0.0 113.138 171.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.408 ' HA ' ' ND2' ' A' ' 47' ' ' ASN . 12.3 mt -76.3 -43.53 36.67 Favored 'Isoleucine or valine' 0 C--N 1.372 1.577 0 C-N-CA 128.61 2.764 . . . . 0.0 112.384 174.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.4 m -70.12 -37.29 71.51 Favored 'Isoleucine or valine' 0 C--N 1.367 1.329 0 O-C-N 121.014 -1.054 . . . . 0.0 109.23 171.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.448 ' CZ ' ' CZ ' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -65.32 -51.98 57.01 Favored 'General case' 0 C--N 1.391 2.396 0 C-N-CA 126.256 1.822 . . . . 0.0 111.663 175.601 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.408 ' ND2' ' HA ' ' A' ' 44' ' ' ILE . 15.9 p30 -59.21 -28.03 66.28 Favored 'General case' 0 C--N 1.369 1.453 0 CA-C-N 121.821 2.101 . . . . 0.0 115.636 175.236 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -75.71 -43.84 45.06 Favored 'General case' 0 C--N 1.367 1.349 0 CA-C-N 114.149 -1.387 . . . . 0.0 111.473 177.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.56 ' CE1' HG21 ' A' ' 50' ' ' ILE . 22.2 t80 -64.31 -53.25 51.82 Favored 'General case' 0 C--N 1.357 0.929 0 C-N-CA 131.519 3.928 . . . . 0.0 114.722 176.056 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.56 HG21 ' CE1' ' A' ' 49' ' ' TYR 0.432 1.1 pt -82.09 -3.88 7.4 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.16 0 N-CA-C 121.304 3.816 . . . . 0.0 121.304 -177.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 24.4 t -87.78 57.11 4.19 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.754 1.622 . . . . 0.0 107.085 169.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -154.56 -166.68 2.39 Favored 'General case' 0 N--CA 1.447 -0.618 1 C-N-CA 131.894 4.078 . . . . 0.0 101.729 -173.553 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.2 ppt_? -65.09 -30.63 71.6 Favored 'General case' 0 C--N 1.362 1.132 0 N-CA-C 117.224 2.305 . . . . 0.0 117.224 175.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -81.57 10.53 5.8 Favored 'General case' 0 CA--C 1.5 -0.953 0 N-CA-C 120.181 3.4 . . . . 0.0 120.181 -164.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.408 ' HD2' ' HB ' ' A' ' 50' ' ' ILE 0.48 13.6 t-80 -29.74 71.16 0.0 OUTLIER 'General case' 0 C--N 1.367 1.328 1 N-CA-C 122.697 4.332 . . . . 0.0 122.697 -174.861 . . . . . . . . 4 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.407 HG22 ' HB2' ' A' ' 60' ' ' ALA . 38.2 mt -101.76 131.02 50.51 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.219 1 C-N-CA 132.293 4.237 . . . . 0.0 105.596 173.911 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.529 ' HB3' HD21 ' A' ' 59' ' ' ASN . 0.1 OUTLIER -114.16 160.16 19.28 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 103.326 -2.842 . . . . 0.0 103.326 170.018 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.93 -17.98 1.18 Allowed 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 119.553 3.168 . . . . 0.0 119.553 -171.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.529 HD21 ' HB3' ' A' ' 57' ' ' HIS 0.309 16.1 m-80 -78.35 -20.67 50.84 Favored 'General case' 0 N--CA 1.424 -1.73 1 C-N-CA 135.921 5.688 . . . . 0.0 109.678 -177.738 . . . . . . . . 4 3 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.407 ' HB2' HG22 ' A' ' 56' ' ' ILE . . . -89.45 49.26 1.72 Allowed 'General case' 0 C--N 1.385 2.113 0 C-N-CA 128.949 2.9 . . . . 0.0 110.994 168.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 8.3 p -149.81 -173.54 4.45 Favored 'General case' 0 C--N 1.361 1.083 0 C-N-CA 127.119 2.167 . . . . 0.0 109.975 -175.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -88.54 -19.89 25.79 Favored 'General case' 0 C--N 1.37 1.469 0 C-N-CA 129.662 3.185 . . . . 0.0 112.266 174.355 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 1.7 m-90 -85.17 107.61 17.32 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 128.529 2.732 . . . . 0.0 111.678 -176.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -72.5 -10.0 59.25 Favored 'General case' 0 C--N 1.361 1.089 0 N-CA-C 117.076 2.251 . . . . 0.0 117.076 178.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.4 p -147.65 153.97 40.03 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 127.659 2.383 . . . . 0.0 104.647 -175.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.2 tt -75.29 -3.24 32.21 Favored 'General case' 0 C--N 1.373 1.608 0 O-C-N 119.386 -2.071 . . . . 0.0 113.855 177.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.451 HG21 ' CZ2' ' A' ' 88' ' ' TRP . 33.0 m -80.54 -37.08 32.15 Favored 'General case' 0 C--N 1.358 0.973 0 C-N-CA 131.015 3.726 . . . . 0.0 107.643 175.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -72.79 -29.74 63.53 Favored 'General case' 0 C--N 1.361 1.087 0 N-CA-C 116.034 1.864 . . . . 0.0 116.034 174.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -72.48 -38.02 68.3 Favored 'General case' 0 C--N 1.363 1.177 0 C-N-CA 126.423 1.889 . . . . 0.0 110.346 171.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . 0.258 2.0 p -72.67 -35.21 67.64 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 124.796 1.238 . . . . 0.0 112.072 175.509 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.8 mmtp -62.38 -36.32 81.92 Favored 'General case' 0 C--N 1.378 1.837 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 169.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 87.2 t90 -78.29 -49.13 14.24 Favored 'General case' 0 C--N 1.37 1.478 0 C-N-CA 126.481 1.912 . . . . 0.0 112.742 177.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . 0.677 0.0 OUTLIER -65.28 -32.91 74.81 Favored 'General case' 0 C--N 1.361 1.091 0 O-C-N 119.157 -2.214 . . . . 0.0 115.637 177.852 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -60.41 -28.76 67.79 Favored Glycine 0 C--N 1.369 2.374 0 CA-C-N 112.306 -2.224 . . . . 0.0 116.101 160.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -83.5 -39.12 20.88 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 127.215 2.206 . . . . 0.0 114.668 177.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.438 ' CB ' ' CD1' ' A' ' 78' ' ' LEU . 49.7 mm-40 -66.96 -20.16 65.84 Favored 'General case' 0 C--N 1.359 1.0 0 C-N-CA 129.815 3.246 . . . . 0.0 113.504 177.07 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 91.35 15.6 55.09 Favored Glycine 0 C--N 1.359 1.833 0 CA-C-O 122.783 1.213 . . . . 0.0 111.412 165.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.438 ' CD1' ' CB ' ' A' ' 76' ' ' GLU . 3.1 mp -95.36 -31.73 13.28 Favored 'General case' 0 CA--C 1.48 -1.712 0 C-N-CA 125.112 1.365 . . . . 0.0 111.4 -177.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.4 m -140.7 146.18 37.47 Favored 'General case' 0 CA--C 1.508 -0.648 0 O-C-N 119.448 -2.032 . . . . 0.0 114.44 -177.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 59.6 mttt -99.07 143.53 29.25 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 129.087 2.955 . . . . 0.0 107.266 175.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -132.25 144.41 37.1 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.696 0 O-C-N 119.429 -2.044 . . . . 0.0 112.176 -170.641 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -142.81 150.65 40.23 Favored 'General case' 0 C--N 1.359 1.003 0 CA-C-N 113.983 -1.462 . . . . 0.0 110.272 173.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -121.48 138.33 54.33 Favored 'General case' 0 C--N 1.365 1.257 0 O-C-N 120.537 -1.352 . . . . 0.0 109.672 178.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 46.4 p -124.99 175.73 2.84 Favored Pre-proline 0 C--N 1.361 1.093 0 C-N-CA 127.27 2.228 . . . . 0.0 111.172 -175.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -64.99 -6.48 12.91 Favored 'Trans proline' 0 CA--C 1.559 1.742 0 C-N-CA 123.173 2.582 . . . . 0.0 117.272 163.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -119.88 25.92 9.64 Favored 'General case' 0 C--N 1.364 1.198 0 C-N-CA 127.5 2.32 . . . . 0.0 111.844 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 115.59 -168.08 12.55 Favored Glycine 0 C--N 1.366 2.242 0 N-CA-C 118.687 2.235 . . . . 0.0 118.687 174.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.451 ' CZ2' HG21 ' A' ' 67' ' ' THR . 18.2 m95 -97.67 110.09 22.72 Favored 'General case' 0 C--N 1.368 1.404 0 C-N-CA 129.809 3.243 . . . . 0.0 108.793 177.389 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -108.89 132.25 54.23 Favored 'General case' 0 C--N 1.363 1.188 0 C-N-CA 127.866 2.466 . . . . 0.0 107.14 -178.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 2.3 pt -122.92 137.66 55.64 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.973 0 C-N-CA 126.241 1.816 . . . . 0.0 107.35 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -123.31 125.55 45.24 Favored 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 103.534 -2.765 . . . . 0.0 103.534 171.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.473 ' CD2' HD13 ' A' ' 31' ' ' LEU 0.273 49.3 t80 -63.11 147.49 50.67 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 127.953 2.501 . . . . 0.0 114.118 178.076 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.2 mt -94.25 106.41 18.06 Favored 'Isoleucine or valine' 0 C--N 1.354 0.768 0 N-CA-C 100.363 -3.94 . . . . 0.0 100.363 177.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . 0.286 2.1 p30 -49.7 -27.11 4.36 Favored 'General case' 0 C--N 1.36 1.057 1 N-CA-C 122.389 4.218 . . . . 0.0 122.389 -167.847 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . 0.321 6.3 mtp180 74.71 -92.45 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 128.208 2.603 . . . . 0.0 108.443 -179.476 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -102.45 119.25 56.72 Favored Pre-proline 0 N--CA 1.451 -0.387 0 N-CA-C 104.746 -2.316 . . . . 0.0 104.746 159.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -74.13 -8.6 21.21 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 125.239 3.959 . . . . 0.0 113.439 -177.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -70.81 -28.47 64.66 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 127.841 2.456 . . . . 0.0 109.672 168.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -68.51 -38.7 81.16 Favored 'General case' 0 C--N 1.372 1.55 0 O-C-N 120.223 -1.548 . . . . 0.0 111.621 174.487 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 45.7 mm -73.62 -50.76 28.11 Favored 'Isoleucine or valine' 0 C--N 1.365 1.275 0 C-N-CA 130.175 3.39 . . . . 0.0 110.168 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 85.4 mtm180 -66.34 -34.77 78.72 Favored 'General case' 0 C--N 1.364 1.223 0 O-C-N 119.992 -1.693 . . . . 0.0 113.697 175.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.83 -25.56 56.38 Favored 'General case' 0 C--N 1.372 1.545 0 C-N-CA 125.079 1.352 . . . . 0.0 111.171 173.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . 0.266 8.5 mt-30 -72.23 -41.05 67.27 Favored 'General case' 0 C--N 1.364 1.202 0 C-N-CA 124.684 1.194 . . . . 0.0 114.142 173.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.83 -53.89 6.63 Favored 'General case' 0 C--N 1.355 0.844 0 O-C-N 120.974 -1.079 . . . . 0.0 112.927 177.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -83.47 -57.43 3.25 Favored 'General case' 0 C--N 1.362 1.13 0 N-CA-C 118.946 2.943 . . . . 0.0 118.946 -174.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.458 ' C ' ' H ' ' A' ' 108' ' ' LYS . 0.1 OUTLIER -71.76 -42.71 66.87 Favored 'General case' 0 C--N 1.364 1.213 0 C-N-CA 127.726 2.41 . . . . 0.0 115.624 -173.234 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.422 ' HA ' ' HZ2' ' A' ' 110' ' ' LYS . 30.6 tt0 -63.25 7.01 0.1 Allowed 'General case' 0 C--N 1.371 1.53 0 C-N-CA 129.653 3.181 . . . . 0.0 115.088 179.127 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.458 ' H ' ' C ' ' A' ' 106' ' ' LEU . 47.2 mtpt -109.64 -16.14 14.0 Favored 'General case' 0 C--N 1.347 0.479 0 C-N-CA 129.181 2.992 . . . . 0.0 112.482 176.441 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -101.05 4.91 42.73 Favored 'General case' 0 C--N 1.358 0.974 0 C-N-CA 126.345 1.858 . . . . 0.0 115.124 -172.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.422 ' HZ2' ' HA ' ' A' ' 107' ' ' GLU . 57.5 mttp -77.18 54.91 1.12 Allowed 'General case' 0 C--N 1.356 0.888 0 N-CA-C 116.74 2.126 . . . . 0.0 116.74 -175.235 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 76.5 tttt . . . . . 0 C--N 1.362 1.143 0 C-N-CA 129.457 3.103 . . . . 0.0 116.617 176.394 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.496 -1.138 0 N-CA-C 109.214 -1.554 . . . . 0.0 109.214 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.55 157.58 29.16 Favored 'General case' 0 CA--C 1.508 -0.667 0 C-N-CA 125.468 1.507 . . . . 0.0 109.963 -179.38 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 79.98 26.17 0.35 Allowed 'General case' 0 C--N 1.361 1.079 0 C-N-CA 127.799 2.44 . . . . 0.0 113.957 176.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -91.52 -32.66 15.47 Favored 'General case' 0 C--N 1.356 0.879 0 C-N-CA 128.867 2.867 . . . . 0.0 112.885 179.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.358 0.4 OUTLIER 48.47 47.88 19.84 Favored 'General case' 0 C--N 1.371 1.536 0 C-N-CA 129.11 2.964 . . . . 0.0 115.58 -174.784 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.1 154.3 37.89 Favored 'General case' 0 C--N 1.371 1.529 0 C-N-CA 125.308 1.443 . . . . 0.0 114.065 -177.052 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 89.4 mt -126.22 20.16 7.51 Favored 'General case' 0 CA--C 1.503 -0.832 0 C-N-CA 124.462 1.105 . . . . 0.0 110.897 -178.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 67.8 40.65 2.36 Favored 'General case' 0 C--N 1.361 1.082 0 C-N-CA 127.246 2.218 . . . . 0.0 114.984 174.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 80.7 p -78.06 90.26 4.21 Favored 'General case' 0 C--N 1.358 0.95 0 C-N-CA 127.547 2.339 . . . . 0.0 116.531 -174.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -151.98 -178.4 6.73 Favored 'General case' 0 N--CA 1.436 -1.13 0 N-CA-C 101.684 -3.45 . . . . 0.0 101.684 175.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 14.1 t30 84.14 87.64 0.05 OUTLIER Pre-proline 0 C--N 1.36 1.034 0 C-N-CA 127.032 2.133 . . . . 0.0 111.168 177.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -61.51 51.55 0.1 OUTLIER 'Trans proline' 0 CA--C 1.553 1.449 1 C-N-CA 125.763 4.309 . . . . 0.0 119.436 -172.174 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -72.16 -55.96 6.38 Favored 'General case' 0 C--N 1.367 1.368 0 C-N-CA 130.549 3.54 . . . . 0.0 112.983 179.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.3 pm0 -75.43 9.95 1.9 Allowed 'General case' 0 C--N 1.361 1.082 0 C-N-CA 127.56 2.344 . . . . 0.0 115.769 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -107.46 10.35 29.44 Favored 'General case' 0 C--N 1.355 0.81 0 C-N-CA 127.7 2.4 . . . . 0.0 108.081 174.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.447 ' HE2' ' CE2' ' A' ' 72' ' ' TRP . 1.6 tmt? -60.97 -31.85 71.42 Favored 'General case' 0 C--N 1.378 1.841 0 C-N-CA 127.289 2.236 . . . . 0.0 113.787 176.449 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -65.11 -47.66 76.39 Favored 'General case' 0 C--N 1.365 1.24 0 O-C-N 119.429 -2.045 . . . . 0.0 113.952 172.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -70.39 -52.81 19.69 Favored 'General case' 0 C--N 1.364 1.215 0 C-N-CA 127.232 2.213 . . . . 0.0 114.646 175.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.8 m-30 -74.05 -44.5 54.06 Favored 'General case' 0 C--N 1.364 1.2 0 C-N-CA 127.184 2.194 . . . . 0.0 115.018 -178.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . 0.387 7.0 t -66.62 -29.17 69.15 Favored 'General case' 0 C--N 1.373 1.62 0 N-CA-C 114.918 1.451 . . . . 0.0 114.918 175.112 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -69.5 -48.35 60.88 Favored 'General case' 0 C--N 1.365 1.259 0 CA-C-N 121.709 2.05 . . . . 0.0 112.46 175.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -65.37 -45.9 82.25 Favored 'General case' 0 C--N 1.368 1.389 0 C-N-CA 125.999 1.719 . . . . 0.0 112.251 174.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.444 ' CE1' ' CE2' ' A' ' 46' ' ' TYR . 11.6 t80 -59.51 -50.95 71.95 Favored 'General case' 0 C--N 1.381 1.935 0 C-N-CA 125.258 1.423 . . . . 0.0 112.852 172.511 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.444 ' HE ' HD21 ' A' ' 28' ' ' LEU 0.387 0.0 OUTLIER -69.22 -34.22 74.52 Favored 'General case' 0 C--N 1.357 0.933 0 N-CA-C 116.274 1.953 . . . . 0.0 116.274 178.477 . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -71.13 -51.49 24.66 Favored 'General case' 0 C--N 1.357 0.924 0 O-C-N 120.279 -1.513 . . . . 0.0 114.538 172.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -76.79 -38.33 54.18 Favored 'General case' 0 C--N 1.365 1.272 0 N-CA-C 115.044 1.498 . . . . 0.0 115.044 178.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -70.84 -38.73 73.22 Favored 'General case' 0 C--N 1.373 1.619 0 C-N-CA 126.098 1.759 . . . . 0.0 110.63 175.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.444 HD21 ' HE ' ' A' ' 24' ' ' ARG . 0.1 OUTLIER -66.41 -37.88 86.21 Favored 'General case' 0 C--N 1.383 2.023 0 CA-C-N 121.065 1.757 . . . . 0.0 111.548 172.534 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -60.64 -53.79 53.18 Favored 'General case' 0 C--N 1.359 0.999 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 171.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.424 HD22 ' HG2' ' A' ' 48' ' ' GLU . 5.5 tp -57.27 -43.2 82.87 Favored 'General case' 0 C--N 1.365 1.264 0 C-N-CA 128.274 2.63 . . . . 0.0 114.002 175.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 tt -64.31 -45.91 85.88 Favored 'General case' 0 C--N 1.368 1.375 0 C-N-CA 129.608 3.163 . . . . 0.0 112.668 174.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 56.6 mtm180 -74.33 -45.46 47.13 Favored 'General case' 0 C--N 1.357 0.919 0 N-CA-C 115.297 1.591 . . . . 0.0 115.297 178.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.4 ptt180 -70.94 -48.22 54.68 Favored 'General case' 0 CA--C 1.48 -1.724 0 N-CA-C 117.527 2.417 . . . . 0.0 117.527 175.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.4 mtt180 -83.2 -31.07 27.28 Favored 'General case' 0 N--CA 1.435 -1.204 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 -175.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -111.97 -27.7 8.32 Favored 'General case' 0 C--N 1.362 1.141 0 CA-C-O 117.82 -1.086 . . . . 0.0 113.441 -174.201 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.34 -108.23 2.41 Favored Glycine 0 C--N 1.397 3.934 0 CA-C-N 123.156 2.707 . . . . 0.0 113.029 -175.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.8 p -135.1 108.28 7.72 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 100.475 -3.898 . . . . 0.0 100.475 168.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -141.16 139.95 33.98 Favored 'General case' 0 CA--C 1.505 -0.782 0 C-N-CA 125.178 1.391 . . . . 0.0 109.616 -177.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.08 110.78 5.96 Favored 'General case' 0 C--N 1.371 1.503 0 O-C-N 120.428 -1.42 . . . . 0.0 109.563 168.403 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.5 p -147.17 156.2 10.69 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.439 0 O-C-N 119.296 -2.127 . . . . 0.0 106.946 -166.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.408 ' CD2' ' O ' ' A' ' 88' ' ' TRP . 64.5 t-80 -85.75 119.8 26.48 Favored 'General case' 0 C--N 1.367 1.355 0 CA-C-O 123.155 1.455 . . . . 0.0 108.752 176.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -52.31 -32.82 39.66 Favored 'General case' 0 C--N 1.349 0.561 0 C-N-CA 130.186 3.394 . . . . 0.0 116.216 -178.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.291 3.5 t-20 -71.42 -28.11 63.76 Favored 'General case' 0 C--N 1.363 1.166 0 O-C-N 120.394 -1.441 . . . . 0.0 111.489 176.259 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.3 mt -66.29 -40.98 88.21 Favored 'Isoleucine or valine' 0 C--N 1.376 1.723 0 C-N-CA 128.22 2.608 . . . . 0.0 109.944 170.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.2 m -73.3 -39.53 55.85 Favored 'Isoleucine or valine' 0 C--N 1.359 0.982 0 C-N-CA 125.128 1.371 . . . . 0.0 112.239 178.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.444 ' CE2' ' CE1' ' A' ' 23' ' ' PHE . 0.4 OUTLIER -65.21 -50.98 63.77 Favored 'General case' 0 C--N 1.376 1.731 0 C-N-CA 129.837 3.255 . . . . 0.0 110.256 176.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -61.74 -31.95 72.16 Favored 'General case' 0 C--N 1.373 1.591 0 C-N-CA 127.126 2.171 . . . . 0.0 113.522 172.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.424 ' HG2' HD22 ' A' ' 30' ' ' LEU . 18.9 tt0 -69.24 -44.02 72.83 Favored 'General case' 0 C--N 1.365 1.256 0 C-N-CA 124.189 0.995 . . . . 0.0 113.206 171.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . 0.362 0.1 OUTLIER -68.05 -52.05 39.73 Favored 'General case' 0 C--N 1.362 1.13 0 C-N-CA 128.144 2.577 . . . . 0.0 113.41 175.075 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.467 ' HB ' ' HA ' ' A' ' 55' ' ' HIS . 0.5 OUTLIER -71.86 -18.63 19.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 N-CA-C 118.23 2.678 . . . . 0.0 118.23 -179.534 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 65.9 m -66.0 0.48 1.87 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 126.444 1.898 . . . . 0.0 115.384 175.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 57.7 m-70 -91.23 -137.65 0.15 Allowed 'General case' 0 C--N 1.358 0.953 0 C-N-CA 129.766 3.226 . . . . 0.0 107.218 172.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.34 -37.03 53.21 Favored 'General case' 0 C--N 1.357 0.925 0 N-CA-C 117.129 2.27 . . . . 0.0 117.129 177.112 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -78.43 11.74 2.31 Favored 'General case' 0 CA--C 1.502 -0.894 1 N-CA-C 123.727 4.714 . . . . 0.0 123.727 -160.019 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.467 ' HA ' ' HB ' ' A' ' 50' ' ' ILE 0.37 5.7 t-160 -28.94 48.09 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.311 1 N-CA-C 126.125 5.602 . . . . 0.0 126.125 -172.018 . . . . . . . . 4 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 7.3 mt -88.11 93.82 4.4 Favored 'Isoleucine or valine' 0 C--N 1.367 1.329 0 C-N-CA 131.454 3.902 . . . . 0.0 104.7 169.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -92.24 -176.01 4.22 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 125.667 1.587 . . . . 0.0 107.642 -179.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.0 ttm -56.85 -12.51 1.98 Allowed 'General case' 0 CA--C 1.549 0.937 0 O-C-N 118.239 -2.788 . . . . 0.0 113.942 170.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -85.72 -9.44 57.15 Favored 'General case' 0 CA--C 1.574 1.899 1 C-N-CA 134.056 4.942 . . . . 0.0 112.445 174.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -124.57 55.57 1.32 Allowed 'General case' 0 C--N 1.371 1.53 0 C-N-CA 126.895 2.078 . . . . 0.0 110.734 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 9.7 t -179.86 175.99 0.79 Allowed 'General case' 0 C--N 1.363 1.188 0 O-C-N 120.513 -1.367 . . . . 0.0 108.587 -173.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -83.36 -10.9 58.18 Favored 'General case' 0 C--N 1.366 1.295 0 C-N-CA 127.573 2.349 . . . . 0.0 115.746 -173.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -103.01 97.4 7.51 Favored 'General case' 0 N--CA 1.441 -0.911 0 C-N-CA 128.155 2.582 . . . . 0.0 107.612 -177.223 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -75.67 -42.84 50.17 Favored 'General case' 0 C--N 1.361 1.073 0 C-N-CA 127.396 2.279 . . . . 0.0 112.411 -177.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -110.33 142.41 42.0 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 103.322 -2.844 . . . . 0.0 103.322 179.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.9 tp -52.76 -31.87 40.44 Favored 'General case' 0 C--N 1.378 1.825 0 C-N-CA 128.562 2.745 . . . . 0.0 114.675 -174.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.481 HG21 ' CZ2' ' A' ' 88' ' ' TRP . 29.3 m -56.35 -44.31 79.97 Favored 'General case' 0 CA--C 1.497 -1.088 1 C-N-CA 134.273 5.029 . . . . 0.0 110.66 -179.305 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.93 -27.09 62.58 Favored 'General case' 0 C--N 1.36 1.061 0 N-CA-C 117.393 2.368 . . . . 0.0 117.393 173.626 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.423 ' CZ ' HD21 ' A' ' 73' ' ' LEU . 26.8 t80 -72.45 -37.88 68.42 Favored 'General case' 0 C--N 1.365 1.273 0 C-N-CA 125.497 1.519 . . . . 0.0 110.164 171.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.22 -36.84 72.01 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 126.72 2.008 . . . . 0.0 112.222 176.092 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.3 mmtt -62.09 -38.16 87.82 Favored 'General case' 0 C--N 1.383 2.054 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 168.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.447 ' CE2' ' HE2' ' A' ' 16' ' ' MET . 79.9 t90 -80.71 -56.53 4.08 Favored 'General case' 0 C--N 1.364 1.221 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 178.187 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.447 HD23 ' HG ' ' A' ' 79' ' ' CYS . 0.2 OUTLIER -65.13 -35.36 80.88 Favored 'General case' 0 C--N 1.364 1.224 0 N-CA-C 116.865 2.172 . . . . 0.0 116.865 -178.285 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -59.66 -27.58 64.08 Favored Glycine 0 C--N 1.361 1.932 0 C-N-CA 127.675 2.559 . . . . 0.0 114.704 170.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -83.6 -18.78 37.05 Favored 'General case' 0 CA--C 1.506 -0.737 0 N-CA-C 116.387 1.995 . . . . 0.0 116.387 -177.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -85.01 -18.54 34.11 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 124.776 1.23 . . . . 0.0 112.751 -175.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 90.51 24.92 27.13 Favored Glycine 0 C--N 1.37 2.445 0 C-N-CA 120.429 -0.891 . . . . 0.0 111.222 -176.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -104.59 -36.1 7.61 Favored 'General case' 0 CA--C 1.48 -1.743 0 C-N-CA 123.852 0.861 . . . . 0.0 109.724 174.632 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 92' ' ' TYR . 22.6 m -134.27 151.08 51.08 Favored 'General case' 0 C--O 1.222 -0.382 0 N-CA-C 116.793 2.146 . . . . 0.0 116.793 -179.036 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -104.12 143.74 32.5 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 127.475 2.31 . . . . 0.0 107.183 171.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -129.05 142.34 44.29 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.599 0 O-C-N 118.833 -2.417 . . . . 0.0 112.009 -175.3 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -139.89 150.95 45.21 Favored 'General case' 0 C--N 1.364 1.233 0 C-N-CA 125.699 1.6 . . . . 0.0 109.257 176.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -123.4 139.65 53.82 Favored 'General case' 0 C--N 1.369 1.429 0 O-C-N 120.507 -1.371 . . . . 0.0 112.301 -179.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 71.4 p -121.03 176.68 1.77 Allowed Pre-proline 0 C--N 1.358 0.97 0 C-N-CA 131.156 3.782 . . . . 0.0 109.375 -178.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -70.61 -1.49 9.26 Favored 'Trans proline' 0 N--CA 1.443 -1.49 0 N-CA-C 117.797 2.191 . . . . 0.0 117.797 165.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -111.02 -6.54 14.63 Favored 'General case' 0 C--N 1.361 1.1 0 CA-C-N 120.4 1.455 . . . . 0.0 114.163 -176.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 150.91 -164.64 30.03 Favored Glycine 0 C--N 1.359 1.813 0 O-C-N 120.631 -1.293 . . . . 0.0 112.943 -172.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.481 ' CZ2' HG21 ' A' ' 67' ' ' THR . 20.5 m95 -105.59 131.42 53.0 Favored 'General case' 0 C--N 1.359 0.985 0 CA-C-O 124.265 1.984 . . . . 0.0 107.417 171.16 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -116.2 125.7 52.63 Favored 'General case' 0 CA--C 1.5 -0.953 0 N-CA-C 103.34 -2.837 . . . . 0.0 103.34 -179.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -115.64 138.35 46.32 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.836 0 C-N-CA 126.527 1.931 . . . . 0.0 106.105 -179.414 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -121.17 120.37 35.05 Favored 'General case' 0 CA--C 1.49 -1.342 0 N-CA-C 102.587 -3.116 . . . . 0.0 102.587 171.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.562 ' HH ' ' CG ' ' A' ' 95' ' ' ARG 0.495 0.2 OUTLIER -73.84 147.31 43.43 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.945 1.698 . . . . 0.0 112.337 179.399 . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . 0.272 2.3 mm -86.33 120.31 35.86 Favored 'Isoleucine or valine' 0 C--N 1.355 0.81 1 C-N-CA 134.083 4.953 . . . . 0.0 104.496 -176.828 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . 0.401 1.1 p30 -83.84 85.38 7.31 Favored 'General case' 0 C--N 1.366 1.313 0 CA-C-N 122.935 2.607 . . . . 0.0 111.545 179.015 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.562 ' CG ' ' HH ' ' A' ' 92' ' ' TYR . 15.5 mmm180 -27.07 -100.82 0.0 OUTLIER 'General case' 0 C--N 1.354 0.79 1 C-N-CA 134.961 5.305 . . . . 0.0 115.627 175.13 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -102.56 121.47 49.65 Favored Pre-proline 0 C--N 1.35 0.6 0 CA-C-O 113.857 -2.973 . . . . 0.0 105.405 163.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_exo -55.33 -25.34 47.08 Favored 'Trans proline' 0 C--N 1.358 1.07 2 C-N-CA 126.992 5.128 . . . . 0.0 117.017 -176.533 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -54.04 -44.63 71.17 Favored 'General case' 0 C--N 1.364 1.236 0 C-N-CA 129.193 2.997 . . . . 0.0 110.771 167.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -57.3 -47.19 82.14 Favored 'General case' 0 C--N 1.369 1.421 0 C-N-CA 126.756 2.023 . . . . 0.0 114.142 175.711 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.8 mp -66.78 -50.02 69.24 Favored 'Isoleucine or valine' 0 C--N 1.365 1.252 1 C-N-CA 131.822 4.049 . . . . 0.0 110.784 175.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 75.4 mtm-85 -69.05 -34.66 75.53 Favored 'General case' 0 C--N 1.361 1.071 0 O-C-N 119.241 -2.162 . . . . 0.0 113.237 177.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 -66.18 -33.47 75.85 Favored 'General case' 0 C--N 1.376 1.753 0 C-N-CA 126.089 1.756 . . . . 0.0 111.27 168.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . 0.319 1.0 OUTLIER -63.71 -59.55 4.44 Favored 'General case' 0 C--N 1.359 0.995 0 N-CA-C 115.999 1.851 . . . . 0.0 115.999 168.311 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.3 -38.88 75.07 Favored 'General case' 0 C--N 1.345 0.387 0 N-CA-C 115.548 1.684 . . . . 0.0 115.548 -176.097 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -82.08 -47.78 12.17 Favored 'General case' 0 C--N 1.362 1.128 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 -178.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 11.8 mt -83.08 -57.67 3.18 Favored 'General case' 0 C--N 1.359 1.002 0 N-CA-C 115.734 1.753 . . . . 0.0 115.734 -176.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -60.82 -16.79 44.92 Favored 'General case' 0 C--N 1.37 1.465 0 C-N-CA 128.754 2.821 . . . . 0.0 116.325 -176.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 36.1 mtmt -105.81 -22.43 12.93 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 113.647 -1.615 . . . . 0.0 114.552 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -107.36 -35.47 6.78 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 124.561 1.144 . . . . 0.0 113.935 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -121.5 49.48 1.52 Allowed 'General case' 0 C--N 1.358 0.977 0 C-N-CA 124.65 1.18 . . . . 0.0 111.342 -174.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? . . . . . 0 C--N 1.354 0.777 0 O-C-N 120.659 -1.276 . . . . 0.0 109.393 178.82 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.489 -1.546 0 N-CA-C 108.277 -1.929 . . . . 0.0 108.277 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -154.26 -65.14 0.14 Allowed 'General case' 0 CA--C 1.509 -0.609 0 CA-C-O 122.967 1.365 . . . . 0.0 108.691 -177.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -106.55 80.21 1.45 Allowed 'General case' 0 N--CA 1.442 -0.826 0 C-N-CA 127.418 2.287 . . . . 0.0 110.981 -174.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -168.93 -60.34 0.02 OUTLIER 'General case' 0 CA--C 1.501 -0.919 0 C-N-CA 124.135 0.974 . . . . 0.0 108.391 178.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 mm? 74.03 53.96 0.1 Allowed 'General case' 0 C--N 1.364 1.233 0 C-N-CA 128.415 2.686 . . . . 0.0 110.948 -178.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.9 mt -84.92 140.39 31.14 Favored 'General case' 0 C--N 1.359 0.995 0 N-CA-C 116.421 2.008 . . . . 0.0 116.421 -176.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 27.1 mt -120.53 12.2 11.5 Favored 'General case' 0 C--N 1.359 1.018 0 C-N-CA 126.421 1.888 . . . . 0.0 109.994 175.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 74.85 -81.57 0.03 OUTLIER 'General case' 0 C--N 1.357 0.903 0 C-N-CA 127.351 2.261 . . . . 0.0 112.501 177.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.8 t 62.95 40.94 8.93 Favored 'General case' 0 C--N 1.365 1.261 0 C-N-CA 129.583 3.153 . . . . 0.0 115.698 174.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -112.97 -110.88 0.35 Allowed 'General case' 0 C--N 1.358 0.96 0 C-N-CA 125.669 1.588 . . . . 0.0 111.752 -178.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 22.9 m-20 68.68 78.99 0.22 Allowed Pre-proline 0 C--N 1.366 1.304 0 C-N-CA 130.339 3.456 . . . . 0.0 114.329 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -69.8 55.99 1.35 Allowed 'Trans proline' 0 CA--C 1.548 1.178 0 C-N-CA 124.985 3.79 . . . . 0.0 119.0 -170.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -80.16 -65.05 1.05 Allowed 'General case' 0 C--N 1.363 1.165 0 C-N-CA 130.511 3.525 . . . . 0.0 110.633 179.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -66.72 -19.96 65.87 Favored 'General case' 0 C--N 1.365 1.281 0 C-N-CA 126.395 1.878 . . . . 0.0 113.831 174.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -89.16 -0.84 57.77 Favored 'General case' 0 C--N 1.361 1.087 0 C-N-CA 126.53 1.932 . . . . 0.0 111.955 173.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -74.67 -31.14 61.83 Favored 'General case' 0 C--N 1.381 1.972 0 O-C-N 120.25 -1.531 . . . . 0.0 110.172 172.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -62.36 -44.25 96.9 Favored 'General case' 0 C--N 1.363 1.182 0 O-C-N 120.234 -1.541 . . . . 0.0 112.602 170.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -70.31 -53.41 16.9 Favored 'General case' 0 C--N 1.362 1.125 0 C-N-CA 126.795 2.038 . . . . 0.0 115.454 173.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.277 28.7 m-85 -74.79 -39.73 61.56 Favored 'General case' 0 C--N 1.369 1.455 0 C-N-CA 126.839 2.056 . . . . 0.0 115.679 179.375 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . 0.304 1.4 t -66.87 -30.11 70.18 Favored 'General case' 0 C--N 1.375 1.681 0 C-N-CA 125.128 1.371 . . . . 0.0 112.407 175.435 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -69.9 -35.22 74.44 Favored 'General case' 0 C--N 1.37 1.478 0 C-N-CA 124.714 1.206 . . . . 0.0 113.947 170.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -75.71 -49.92 16.86 Favored 'General case' 0 C--N 1.37 1.476 0 CA-C-N 120.284 1.402 . . . . 0.0 112.753 171.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.463 ' CE2' ' CE1' ' A' ' 46' ' ' TYR . 23.3 t80 -60.58 -52.37 65.46 Favored 'General case' 0 C--N 1.375 1.707 0 C-N-CA 128.041 2.536 . . . . 0.0 112.876 179.27 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.418 HH11 ' HG ' ' A' ' 28' ' ' LEU 0.431 0.0 OUTLIER -70.49 -28.88 65.33 Favored 'General case' 0 C--N 1.358 0.952 0 N-CA-C 115.587 1.699 . . . . 0.0 115.587 -178.748 . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -71.31 -52.31 19.5 Favored 'General case' 0 C--N 1.363 1.156 0 N-CA-C 115.148 1.536 . . . . 0.0 115.148 171.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -76.55 -39.06 53.92 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 124.769 1.227 . . . . 0.0 112.879 -179.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -70.8 -42.38 70.39 Favored 'General case' 0 C--N 1.365 1.271 0 CA-C-O 116.348 -1.787 . . . . 0.0 112.146 174.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.418 ' HG ' HH11 ' A' ' 24' ' ' ARG . 14.6 mt -66.3 -38.81 88.6 Favored 'General case' 0 C--N 1.386 2.16 0 CA-C-N 123.31 2.777 . . . . 0.0 111.929 173.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -61.13 -51.74 67.8 Favored 'General case' 0 C--N 1.368 1.401 0 N-CA-C 114.629 1.344 . . . . 0.0 114.629 173.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.413 ' O ' ' HB2' ' A' ' 34' ' ' ARG . 4.4 tt -60.1 -42.61 95.04 Favored 'General case' 0 C--N 1.357 0.895 0 C-N-CA 128.281 2.633 . . . . 0.0 113.641 174.693 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 tt -59.13 -50.23 74.83 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 127.293 2.237 . . . . 0.0 113.336 170.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.404 ' HG2' ' CZ ' ' A' ' 92' ' ' TYR . 97.6 mtt180 -64.95 -38.46 91.06 Favored 'General case' 0 C--N 1.365 1.275 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 175.606 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . 0.261 8.5 ptt-85 -73.72 -52.99 11.4 Favored 'General case' 0 CA--C 1.466 -2.262 0 CA-C-N 122.855 2.57 . . . . 0.0 115.46 170.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.413 ' HB2' ' O ' ' A' ' 30' ' ' LEU . 4.4 mmt85 -83.4 -30.91 26.99 Favored 'General case' 0 N--CA 1.425 -1.676 0 CA-C-N 112.797 -2.002 . . . . 0.0 115.164 -161.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -114.36 -23.15 9.53 Favored 'General case' 0 C--N 1.362 1.126 0 C-N-CA 124.05 0.94 . . . . 0.0 111.936 -174.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.91 -103.51 2.12 Favored Glycine 0 C--N 1.384 3.207 0 O-C-N 119.428 -2.045 . . . . 0.0 111.749 -177.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.448 HG21 ' CD2' ' A' ' 92' ' ' TYR . 5.7 p -147.81 108.72 4.22 Favored 'General case' 0 N--CA 1.444 -0.764 1 N-CA-C 98.407 -4.664 . . . . 0.0 98.407 165.943 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.1 ttmm -145.67 143.42 29.79 Favored 'General case' 0 CA--C 1.504 -0.799 0 C-N-CA 124.914 1.285 . . . . 0.0 108.784 -176.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.9 107.64 4.13 Favored 'General case' 0 CA--C 1.567 1.606 0 C-N-CA 125.07 1.348 . . . . 0.0 110.369 175.372 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.5 p -151.49 154.98 7.48 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.303 0 O-C-N 118.995 -2.316 . . . . 0.0 105.924 -170.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.417 ' CE1' ' HG ' ' A' ' 66' ' ' LEU . 7.9 t-80 -76.45 139.75 40.99 Favored 'General case' 0 C--N 1.358 0.96 0 CA-C-N 120.148 1.34 . . . . 0.0 110.106 178.19 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -59.05 -29.64 67.46 Favored 'General case' 0 C--N 1.371 1.542 0 O-C-N 120.19 -1.569 . . . . 0.0 114.128 172.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.371 3.0 t-20 -64.88 -29.13 70.07 Favored 'General case' 0 C--N 1.369 1.456 0 N-CA-C 115.513 1.672 . . . . 0.0 115.513 176.141 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.401 ' HA ' ' ND2' ' A' ' 47' ' ' ASN . 4.9 mt -76.58 -37.17 29.16 Favored 'Isoleucine or valine' 0 C--N 1.369 1.43 0 C-N-CA 127.705 2.402 . . . . 0.0 111.265 171.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.8 m -73.43 -36.62 48.91 Favored 'Isoleucine or valine' 0 C--N 1.362 1.122 0 O-C-N 121.002 -1.061 . . . . 0.0 110.164 174.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.463 ' CE1' ' CE2' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -64.53 -52.9 55.4 Favored 'General case' 0 C--N 1.387 2.21 0 C-N-CA 129.308 3.043 . . . . 0.0 110.016 175.471 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.401 ' ND2' ' HA ' ' A' ' 44' ' ' ILE . 4.3 p30 -62.04 -27.28 68.78 Favored 'General case' 0 C--N 1.376 1.726 0 C-N-CA 127.315 2.246 . . . . 0.0 113.884 175.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -76.35 -45.61 31.22 Favored 'General case' 0 C--N 1.367 1.331 0 C-N-CA 124.957 1.303 . . . . 0.0 111.524 174.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -61.35 -47.88 83.87 Favored 'General case' 0 C--N 1.358 0.97 0 C-N-CA 130.777 3.631 . . . . 0.0 114.265 175.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.528 ' CD1' ' HD1' ' A' ' 57' ' ' HIS . 6.0 pt -80.24 -5.13 7.99 Favored 'Isoleucine or valine' 0 C--N 1.354 0.792 0 N-CA-C 120.525 3.528 . . . . 0.0 120.525 -174.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.5 t -79.04 6.64 8.94 Favored 'General case' 0 CA--C 1.556 1.179 0 CA-C-N 119.36 0.982 . . . . 0.0 112.241 172.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -90.9 -154.35 0.35 Allowed 'General case' 0 CA--C 1.559 1.324 0 C-N-CA 131.574 3.95 . . . . 0.0 106.824 172.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.51 -42.43 64.82 Favored 'General case' 0 C--N 1.363 1.157 0 O-C-N 117.75 -3.094 . . . . 0.0 116.757 -179.538 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -62.08 12.45 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.108 1 C-N-CA 137.592 6.357 . . . . 0.0 121.287 -172.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.434 ' HA ' ' HB ' ' A' ' 50' ' ' ILE 0.293 6.0 t-160 -38.88 59.31 0.0 OUTLIER 'General case' 0 C--N 1.36 1.063 1 N-CA-C 122.294 4.183 . . . . 0.0 122.294 -173.182 . . . . . . . . 4 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 59.9 mt -96.97 111.58 27.2 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.865 1 C-N-CA 134.942 5.297 . . . . 0.0 107.778 178.361 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.528 ' HD1' ' CD1' ' A' ' 50' ' ' ILE . 19.9 t60 -94.98 -177.18 4.07 Favored 'General case' 0 C--N 1.347 0.48 0 CA-C-N 122.759 2.527 . . . . 0.0 109.799 177.251 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.7 tpp -53.49 -22.76 8.65 Favored 'General case' 0 N--CA 1.494 1.774 0 CA-C-O 125.039 2.352 . . . . 0.0 114.468 175.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -84.65 -8.97 58.68 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 129.574 3.15 . . . . 0.0 112.546 179.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -99.59 37.46 1.59 Allowed 'General case' 0 C--N 1.368 1.373 0 C-N-CA 127.019 2.127 . . . . 0.0 111.666 173.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . 0.303 2.7 t -162.98 163.63 26.03 Favored 'General case' 0 C--N 1.361 1.089 0 C-N-CA 125.543 1.537 . . . . 0.0 108.086 -175.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -75.52 0.18 18.15 Favored 'General case' 0 C--N 1.379 1.882 0 C-N-CA 129.052 2.941 . . . . 0.0 117.714 -172.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 3.3 m-90 -96.46 118.5 33.11 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 127.069 2.148 . . . . 0.0 105.88 178.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -87.11 -8.89 56.56 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 120.859 1.663 . . . . 0.0 114.345 -178.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 27.6 p -134.23 153.88 51.59 Favored 'General case' 0 C--N 1.347 0.46 0 N-CA-C 105.365 -2.087 . . . . 0.0 105.365 -176.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.417 ' HG ' ' CE1' ' A' ' 41' ' ' HIS . 10.4 tp -65.37 -32.9 74.78 Favored 'General case' 0 C--N 1.372 1.544 0 C-N-CA 127.093 2.157 . . . . 0.0 112.094 179.291 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.4 HG21 ' CZ2' ' A' ' 88' ' ' TRP . 52.6 m -57.32 -46.66 83.01 Favored 'General case' 0 C--N 1.358 0.938 1 C-N-CA 135.562 5.545 . . . . 0.0 113.858 175.472 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -72.0 -26.76 62.35 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 126.186 1.795 . . . . 0.0 115.414 178.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -70.48 -38.41 74.39 Favored 'General case' 0 C--N 1.356 0.856 0 C-N-CA 127.998 2.519 . . . . 0.0 110.206 170.421 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.34 -34.08 70.19 Favored 'General case' 0 C--N 1.356 0.881 0 C-N-CA 126.483 1.913 . . . . 0.0 111.893 173.712 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 49.6 mmtt -64.38 -34.11 77.4 Favored 'General case' 0 C--N 1.377 1.761 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 169.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 85.0 t90 -80.79 -56.94 3.8 Favored 'General case' 0 C--N 1.366 1.304 0 C-N-CA 124.883 1.273 . . . . 0.0 113.488 175.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . 0.426 0.0 OUTLIER -64.55 -34.5 78.4 Favored 'General case' 0 C--N 1.365 1.248 0 C-N-CA 127.495 2.318 . . . . 0.0 116.947 -175.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -56.84 -27.83 56.67 Favored Glycine 0 C--N 1.362 1.974 0 C-N-CA 128.346 2.879 . . . . 0.0 115.175 166.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 70.6 mtp85 -83.66 -18.82 36.76 Favored 'General case' 0 C--N 1.364 1.21 0 N-CA-C 115.733 1.753 . . . . 0.0 115.733 178.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -85.91 -9.56 56.71 Favored 'General case' 0 C--N 1.354 0.766 0 C-N-CA 124.963 1.305 . . . . 0.0 114.367 -175.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.55 25.32 28.27 Favored Glycine 0 C--N 1.364 2.105 0 C-N-CA 123.471 0.558 . . . . 0.0 112.487 -179.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -116.19 -5.18 11.87 Favored 'General case' 0 CA--C 1.5 -0.943 0 CA-C-O 124.066 1.889 . . . . 0.0 110.186 -179.362 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.468 ' SG ' ' HB ' ' A' ' 90' ' ' ILE . 0.1 OUTLIER -154.53 145.97 23.06 Favored 'General case' 0 CA--C 1.473 -1.996 0 O-C-N 119.254 -2.154 . . . . 0.0 114.654 -178.229 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -115.13 142.68 46.33 Favored 'General case' 0 N--CA 1.424 -1.737 0 N-CA-C 104.563 -2.384 . . . . 0.0 104.563 166.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -132.89 150.12 32.61 Favored 'Isoleucine or valine' 0 C--N 1.356 0.876 0 O-C-N 118.895 -2.378 . . . . 0.0 112.546 -170.289 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -148.61 154.47 39.76 Favored 'General case' 0 C--N 1.365 1.276 0 C-N-CA 124.623 1.169 . . . . 0.0 111.498 174.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -117.23 139.59 50.6 Favored 'General case' 0 C--N 1.367 1.339 0 O-C-N 119.886 -1.759 . . . . 0.0 110.672 178.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 43.1 p -118.08 176.36 1.67 Allowed Pre-proline 0 C--N 1.359 1.005 0 C-N-CA 129.399 3.08 . . . . 0.0 110.06 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -68.81 -1.53 7.85 Favored 'Trans proline' 0 N--CA 1.44 -1.656 0 N-CA-C 118.349 2.403 . . . . 0.0 118.349 166.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -115.96 -6.38 12.0 Favored 'General case' 0 C--N 1.362 1.122 0 CA-C-N 120.936 1.698 . . . . 0.0 112.938 -179.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 155.91 -165.23 32.58 Favored Glycine 0 C--N 1.363 2.048 0 O-C-N 120.0 -1.688 . . . . 0.0 115.35 -177.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.4 ' CZ2' HG21 ' A' ' 67' ' ' THR . 4.8 m95 -105.25 111.18 23.83 Favored 'General case' 0 C--N 1.363 1.187 0 C-N-CA 128.313 2.645 . . . . 0.0 110.777 176.451 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -107.33 140.08 40.8 Favored 'General case' 0 CA--C 1.499 -0.987 0 C-N-CA 127.562 2.345 . . . . 0.0 108.051 -174.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.468 ' HB ' ' SG ' ' A' ' 79' ' ' CYS . 1.5 pt -123.91 153.46 29.95 Favored 'Isoleucine or valine' 0 CA--C 1.476 -1.876 0 C-N-CA 127.041 2.137 . . . . 0.0 106.496 178.606 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -135.14 120.54 19.14 Favored 'General case' 0 N--CA 1.417 -2.079 1 N-CA-C 98.174 -4.75 . . . . 0.0 98.174 171.675 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.526 ' HH ' ' CG ' ' A' ' 95' ' ' ARG 0.54 0.1 OUTLIER -71.72 147.79 47.04 Favored 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 125.523 1.529 . . . . 0.0 111.263 -178.332 . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.5 mt -86.72 115.58 27.88 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.325 0 C-N-CA 126.701 2.0 . . . . 0.0 108.275 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.4 ' HB3' ' CG2' ' A' ' 37' ' ' THR 0.323 5.7 p-10 -73.57 59.61 0.63 Allowed 'General case' 0 C--N 1.372 1.574 0 N-CA-C 116.935 2.198 . . . . 0.0 116.935 -174.527 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.602 ' HE ' ' HA ' ' A' ' 95' ' ' ARG 0.296 1.2 mmp_? 3.87 -96.2 0.0 OUTLIER 'General case' 0 C--N 1.353 0.759 1 C-N-CA 133.879 4.872 . . . . 0.0 117.738 171.444 . . . . . . . . 4 3 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -102.84 113.3 65.99 Favored Pre-proline 0 C--N 1.351 0.633 0 CA-C-O 113.555 -3.117 . . . . 0.0 103.333 158.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -56.37 -24.14 50.3 Favored 'Trans proline' 0 C--N 1.357 0.976 2 C-N-CA 127.034 5.156 . . . . 0.0 116.939 -170.363 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -64.74 -29.35 70.33 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 125.29 1.436 . . . . 0.0 113.424 169.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -64.74 -43.07 94.55 Favored 'General case' 0 C--N 1.365 1.246 0 O-C-N 119.052 -2.28 . . . . 0.0 110.374 173.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.8 mp -72.14 -50.55 35.98 Favored 'Isoleucine or valine' 0 C--N 1.358 0.935 0 C-N-CA 130.129 3.372 . . . . 0.0 112.662 177.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 23.0 mmm180 -71.8 -27.19 62.77 Favored 'General case' 0 C--N 1.363 1.183 0 O-C-N 119.543 -1.973 . . . . 0.0 114.741 178.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.624 ' HE ' ' HG ' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -78.9 -34.59 44.58 Favored 'General case' 0 C--N 1.372 1.56 0 O-C-N 120.463 -1.398 . . . . 0.0 108.822 172.92 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -63.4 -34.29 77.42 Favored 'General case' 0 C--N 1.378 1.818 0 N-CA-C 115.289 1.589 . . . . 0.0 115.289 175.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.88 -53.84 5.83 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 124.554 1.142 . . . . 0.0 112.746 174.522 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -83.53 -58.6 2.75 Favored 'General case' 0 C--N 1.364 1.236 0 N-CA-C 119.612 3.19 . . . . 0.0 119.612 -173.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.624 ' HG ' ' HE ' ' A' ' 102' ' ' ARG . 3.6 mt -83.44 -49.98 8.76 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 126.884 2.073 . . . . 0.0 115.699 -172.107 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -60.04 -22.27 62.45 Favored 'General case' 0 C--N 1.375 1.694 0 C-N-CA 128.461 2.704 . . . . 0.0 113.713 -178.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -85.85 -3.0 58.8 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 111.971 -2.377 . . . . 0.0 115.492 178.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -90.43 86.48 6.46 Favored 'General case' 0 C--N 1.353 0.744 0 C-N-CA 126.627 1.971 . . . . 0.0 109.905 177.344 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -85.49 82.94 8.08 Favored 'General case' 0 C--N 1.353 0.737 0 C-N-CA 126.046 1.738 . . . . 0.0 111.002 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 84.9 tttt . . . . . 0 C--N 1.353 0.726 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 -179.951 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.495 -1.201 0 N-CA-C 110.401 -1.08 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 -148.31 -73.24 0.19 Allowed 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 105.696 -1.964 . . . . 0.0 105.696 176.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.21 81.8 1.93 Allowed 'General case' 0 C--N 1.353 0.742 0 C-N-CA 123.892 0.877 . . . . 0.0 109.518 -177.308 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.8 pm0 -102.45 -9.65 20.07 Favored 'General case' 0 C--N 1.361 1.067 0 C-N-CA 125.535 1.534 . . . . 0.0 113.07 179.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 mt 73.7 -56.71 0.64 Allowed 'General case' 0 C--N 1.358 0.962 0 C-N-CA 129.962 3.305 . . . . 0.0 112.911 176.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . 0.257 0.4 OUTLIER 77.55 -154.87 0.03 OUTLIER 'General case' 0 C--N 1.354 0.804 0 C-N-CA 130.816 3.646 . . . . 0.0 113.82 175.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 56.4 mt -119.37 10.25 11.86 Favored 'General case' 0 CA--C 1.501 -0.941 0 C-N-CA 125.555 1.542 . . . . 0.0 109.341 175.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 67.91 -60.41 0.4 Allowed 'General case' 0 C--N 1.364 1.213 0 N-CA-C 117.035 2.235 . . . . 0.0 117.035 175.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.349 82.7 p 83.49 -115.53 0.01 OUTLIER 'General case' 0 C--N 1.356 0.879 0 C-N-CA 129.623 3.169 . . . . 0.0 113.195 178.721 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -157.55 -168.14 2.48 Favored 'General case' 0 N--CA 1.431 -1.417 0 N-CA-C 105.643 -1.984 . . . . 0.0 105.643 -178.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 83.24 76.97 0.08 OUTLIER Pre-proline 0 C--N 1.354 0.79 0 C-N-CA 127.716 2.407 . . . . 0.0 113.358 174.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_endo -77.51 72.14 6.14 Favored 'Trans proline' 0 C--N 1.362 1.266 0 C-N-CA 124.699 3.6 . . . . 0.0 113.373 -175.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 -106.08 -52.45 2.8 Favored 'General case' 0 C--N 1.355 0.83 0 C-N-CA 126.457 1.903 . . . . 0.0 108.755 178.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.6 mm100 -67.94 -6.02 19.96 Favored 'General case' 0 C--N 1.37 1.491 0 C-N-CA 129.748 3.219 . . . . 0.0 114.526 178.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -109.06 0.3 19.84 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 126.889 2.076 . . . . 0.0 109.396 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -67.08 -29.87 69.75 Favored 'General case' 0 C--N 1.384 2.088 0 C-N-CA 125.109 1.363 . . . . 0.0 113.85 176.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -64.92 -49.83 68.88 Favored 'General case' 0 C--N 1.361 1.09 0 O-C-N 120.39 -1.444 . . . . 0.0 113.014 174.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -70.55 -52.15 23.66 Favored 'General case' 0 C--N 1.363 1.165 0 C-N-CA 126.996 2.118 . . . . 0.0 115.5 172.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.271 21.2 m-85 -73.59 -34.48 65.11 Favored 'General case' 0 C--N 1.371 1.502 0 O-C-N 121.033 -1.042 . . . . 0.0 113.195 -177.721 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . 0.311 1.7 t -71.15 -30.04 65.96 Favored 'General case' 0 C--N 1.374 1.634 0 O-C-N 120.683 -1.26 . . . . 0.0 111.847 170.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.428 ' O ' ' HB2' ' A' ' 25' ' ' ASN . 87.5 tt0 -69.98 -49.56 50.35 Favored 'General case' 0 C--N 1.372 1.569 0 CA-C-N 120.225 1.375 . . . . 0.0 113.026 170.399 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -72.33 -32.53 66.61 Favored 'General case' 0 C--N 1.371 1.529 0 CA-C-N 120.973 1.715 . . . . 0.0 114.619 177.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -73.09 -53.59 10.68 Favored 'General case' 0 C--N 1.374 1.644 0 O-C-N 120.394 -1.441 . . . . 0.0 111.305 170.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.345 0.0 OUTLIER -70.53 -31.24 68.22 Favored 'General case' 0 C--N 1.365 1.27 0 N-CA-C 116.139 1.903 . . . . 0.0 116.139 -178.633 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.428 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 3.0 m-80 -71.0 -50.98 28.23 Favored 'General case' 0 C--N 1.371 1.533 0 CA-C-N 121.481 1.946 . . . . 0.0 114.199 172.364 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -76.08 -35.9 59.19 Favored 'General case' 0 C--N 1.367 1.344 0 N-CA-C 114.074 1.139 . . . . 0.0 114.074 -178.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -68.29 -38.27 81.49 Favored 'General case' 0 C--N 1.374 1.644 0 C-N-CA 125.939 1.696 . . . . 0.0 111.158 174.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.08 -43.03 83.65 Favored 'General case' 0 C--N 1.382 2.021 0 C-N-CA 125.499 1.52 . . . . 0.0 109.109 172.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.08 -52.42 63.26 Favored 'General case' 0 C--N 1.356 0.871 0 N-CA-C 115.468 1.655 . . . . 0.0 115.468 172.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . 0.45 0.0 OUTLIER -72.54 -34.38 67.49 Favored 'General case' 0 C--N 1.374 1.663 0 N-CA-C 116.386 1.995 . . . . 0.0 116.386 173.944 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 tt -58.92 -51.06 71.67 Favored 'General case' 0 C--N 1.369 1.451 0 C-N-CA 128.914 2.886 . . . . 0.0 111.256 171.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.4 mtp180 -64.35 -45.77 86.36 Favored 'General case' 0 C--N 1.363 1.169 0 C-N-CA 127.828 2.451 . . . . 0.0 114.417 174.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.543 HH21 ' HG2' ' A' ' 107' ' ' GLU 0.38 2.0 ptp180 -72.46 -51.99 17.78 Favored 'General case' 0 C--N 1.375 1.704 0 N-CA-C 121.359 3.837 . . . . 0.0 121.359 170.016 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -83.2 -31.43 27.09 Favored 'General case' 0 C--N 1.349 0.562 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 -170.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -113.07 -33.77 5.92 Favored 'General case' 0 C--N 1.354 0.793 0 C-N-CA 125.234 1.414 . . . . 0.0 112.032 -174.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.72 -116.13 4.56 Favored Glycine 0 C--N 1.388 3.439 0 O-C-N 119.856 -1.777 . . . . 0.0 111.709 -167.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.4 p -126.43 108.51 11.26 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 101.083 -3.673 . . . . 0.0 101.083 170.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.6 ttmt -150.13 150.36 31.55 Favored 'General case' 0 CA--C 1.512 -0.511 0 C-N-CA 124.594 1.157 . . . . 0.0 108.756 179.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.29 107.76 5.07 Favored 'General case' 0 C--N 1.363 1.16 0 C-N-CA 126.345 1.858 . . . . 0.0 110.931 174.707 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.5 p -151.26 154.81 7.83 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.352 0 N-CA-C 104.966 -2.235 . . . . 0.0 104.966 -171.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -85.24 134.74 34.13 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 126.471 1.908 . . . . 0.0 111.19 -177.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . 0.291 0.6 OUTLIER -57.65 -32.62 67.46 Favored 'General case' 0 C--N 1.379 1.85 0 N-CA-C 115.721 1.748 . . . . 0.0 115.721 -178.538 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.49 ' O ' ' HB3' ' A' ' 47' ' ' ASN 0.267 10.3 m120 -63.0 -27.71 69.6 Favored 'General case' 0 C--N 1.371 1.516 0 CA-C-O 116.125 -1.893 . . . . 0.0 112.594 168.689 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.1 mt -76.74 -37.28 28.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 CA-C-N 124.634 3.379 . . . . 0.0 112.885 171.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.2 m -73.85 -40.38 53.13 Favored 'Isoleucine or valine' 0 C--N 1.361 1.071 0 C-N-CA 124.225 1.01 . . . . 0.0 111.744 174.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.98 -52.92 57.37 Favored 'General case' 0 C--N 1.394 2.525 0 C-N-CA 129.226 3.011 . . . . 0.0 107.442 173.018 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.49 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 0.1 OUTLIER -60.03 -26.79 66.38 Favored 'General case' 0 C--N 1.362 1.14 0 CA-C-N 121.675 2.034 . . . . 0.0 116.46 175.766 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -77.35 -50.07 13.57 Favored 'General case' 0 C--N 1.363 1.157 0 C-N-CA 124.175 0.99 . . . . 0.0 110.795 174.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -56.69 -40.05 74.89 Favored 'General case' 0 C--N 1.366 1.316 1 C-N-CA 132.222 4.209 . . . . 0.0 112.671 175.565 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.507 HG22 ' CD2' ' A' ' 55' ' ' HIS . 1.0 OUTLIER -58.05 -28.33 33.81 Favored 'Isoleucine or valine' 0 C--N 1.354 0.797 0 C-N-CA 131.087 3.755 . . . . 0.0 113.646 -175.532 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 94.7 p -81.76 -3.74 54.57 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 117.388 2.366 . . . . 0.0 117.388 -176.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -96.99 -141.83 0.29 Allowed 'General case' 0 C--N 1.363 1.18 0 C-N-CA 127.186 2.194 . . . . 0.0 111.847 -176.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.39 -43.11 42.04 Favored 'General case' 0 C--N 1.375 1.684 0 O-C-N 118.91 -2.369 . . . . 0.0 113.914 179.511 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -64.01 12.01 0.04 OUTLIER 'General case' 0 N--CA 1.44 -0.955 1 C-N-CA 139.461 7.104 . . . . 0.0 118.527 -174.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.507 ' CD2' HG22 ' A' ' 50' ' ' ILE . 6.5 t-160 -54.73 72.8 0.0 OUTLIER 'General case' 0 C--N 1.361 1.071 0 C-N-CA 129.376 3.07 . . . . 0.0 117.929 -175.099 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 68.7 mt -103.17 141.19 19.51 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.084 1 C-N-CA 132.763 4.425 . . . . 0.0 105.016 176.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.435 ' CG ' HD21 ' A' ' 59' ' ' ASN . 3.5 t-160 -107.84 161.21 15.11 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 106.565 -1.642 . . . . 0.0 106.565 170.381 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.432 ' HE3' ' HA ' ' A' ' 66' ' ' LEU . 0.8 OUTLIER -51.52 -25.36 6.49 Favored 'General case' 0 N--CA 1.49 1.555 1 C-N-CA 132.584 4.353 . . . . 0.0 116.436 -177.066 . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.435 HD21 ' CG ' ' A' ' 57' ' ' HIS 0.316 13.0 m-80 -80.21 -20.52 44.49 Favored 'General case' 0 N--CA 1.427 -1.579 1 C-N-CA 134.679 5.191 . . . . 0.0 110.674 -174.602 . . . . . . . . 4 3 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -94.72 46.97 1.15 Allowed 'General case' 0 C--N 1.383 2.063 0 C-N-CA 128.026 2.53 . . . . 0.0 111.552 169.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.5 p -146.04 172.03 13.99 Favored 'General case' 0 C--N 1.353 0.738 0 N-CA-C 104.655 -2.35 . . . . 0.0 104.655 -176.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -92.14 1.72 57.03 Favored 'General case' 0 C--N 1.374 1.663 0 CA-C-O 124.472 2.082 . . . . 0.0 112.466 178.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 2.5 m-90 -94.27 108.59 20.47 Favored 'General case' 0 N--CA 1.439 -1.003 0 C-N-CA 127.969 2.508 . . . . 0.0 106.464 176.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -74.22 -12.58 60.61 Favored 'General case' 0 C--N 1.357 0.905 0 N-CA-C 115.694 1.739 . . . . 0.0 115.694 -177.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 38.8 p -138.85 155.9 47.75 Favored 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 104.477 -2.416 . . . . 0.0 104.477 -179.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.432 ' HA ' ' HE3' ' A' ' 58' ' ' MET . 5.9 tp -64.98 -29.02 69.91 Favored 'General case' 0 C--N 1.368 1.373 0 C-N-CA 128.127 2.571 . . . . 0.0 112.62 176.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.464 HG21 ' CZ2' ' A' ' 88' ' ' TRP . 41.4 m -59.63 -43.72 93.74 Favored 'General case' 0 C--N 1.36 1.04 1 C-N-CA 135.773 5.629 . . . . 0.0 111.751 177.502 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.97 -26.35 62.22 Favored 'General case' 0 C--N 1.357 0.914 0 C-N-CA 126.83 2.052 . . . . 0.0 115.682 176.473 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -74.62 -37.63 62.76 Favored 'General case' 0 C--N 1.358 0.962 0 C-N-CA 127.385 2.274 . . . . 0.0 109.4 173.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.6 p -71.58 -34.45 69.93 Favored 'General case' 0 C--N 1.355 0.826 0 C-N-CA 126.959 2.103 . . . . 0.0 110.76 172.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.1 mmtt -62.9 -37.16 85.83 Favored 'General case' 0 C--N 1.375 1.691 0 N-CA-C 116.084 1.883 . . . . 0.0 116.084 167.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 90.7 t90 -80.83 -49.46 11.05 Favored 'General case' 0 C--N 1.368 1.403 0 C-N-CA 127.331 2.252 . . . . 0.0 113.948 178.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . 0.303 5.2 tp -65.39 -33.97 77.21 Favored 'General case' 0 C--N 1.351 0.668 0 C-N-CA 129.32 3.048 . . . . 0.0 113.084 178.4 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -61.77 -30.9 76.29 Favored Glycine 0 C--N 1.375 2.705 0 C-N-CA 128.184 2.802 . . . . 0.0 115.978 160.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -84.02 -45.14 13.41 Favored 'General case' 0 C--N 1.36 1.05 0 C-N-CA 127.046 2.138 . . . . 0.0 115.367 177.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -68.08 -19.41 64.86 Favored 'General case' 0 C--N 1.364 1.209 0 C-N-CA 127.869 2.468 . . . . 0.0 113.823 -178.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.41 25.8 29.7 Favored Glycine 0 C--N 1.359 1.819 0 CA-C-N 115.909 -0.587 . . . . 0.0 114.019 176.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.9 mt -97.34 -37.98 9.82 Favored 'General case' 0 C--N 1.365 1.281 0 CA-C-N 118.745 1.273 . . . . 0.0 110.042 173.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 92' ' ' TYR . 25.8 m -133.84 149.79 51.38 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 121.362 1.892 . . . . 0.0 115.301 178.448 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -106.93 117.17 33.35 Favored 'General case' 0 C--N 1.366 1.305 0 C-N-CA 125.082 1.353 . . . . 0.0 111.64 175.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -99.78 154.09 4.33 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.82 0 N-CA-C 117.727 2.491 . . . . 0.0 117.727 -172.122 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -147.89 150.42 34.06 Favored 'General case' 0 C--N 1.355 0.83 0 CA-C-N 111.659 -2.519 . . . . 0.0 110.336 174.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 70.4 tt0 -117.96 139.05 51.71 Favored 'General case' 0 C--N 1.368 1.386 0 O-C-N 120.21 -1.556 . . . . 0.0 109.754 175.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 60.2 p -121.31 175.53 2.39 Favored Pre-proline 0 CA--C 1.499 -0.994 0 C-N-CA 130.323 3.449 . . . . 0.0 111.047 -174.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -66.97 -8.39 21.52 Favored 'Trans proline' 0 N--CA 1.443 -1.446 0 N-CA-C 118.308 2.388 . . . . 0.0 118.308 166.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -109.41 -6.32 15.5 Favored 'General case' 0 C--N 1.363 1.162 0 CA-C-N 120.325 1.42 . . . . 0.0 112.75 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 143.3 -164.84 27.21 Favored Glycine 0 C--N 1.36 1.876 0 CA-C-O 122.405 1.003 . . . . 0.0 115.311 -177.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.464 ' CZ2' HG21 ' A' ' 67' ' ' THR . 26.4 m95 -95.52 112.08 23.86 Favored 'General case' 0 C--N 1.366 1.304 0 C-N-CA 131.566 3.946 . . . . 0.0 110.896 179.286 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -116.84 138.2 51.68 Favored 'General case' 0 C--N 1.36 1.024 0 C-N-CA 125.421 1.489 . . . . 0.0 107.303 -178.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 4.8 pt -120.28 136.87 55.95 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.359 0 C-N-CA 128.86 2.864 . . . . 0.0 105.619 -178.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . 0.283 15.9 pt20 -121.91 114.33 20.86 Favored 'General case' 0 N--CA 1.436 -1.152 0 N-CA-C 103.285 -2.857 . . . . 0.0 103.285 171.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.418 ' HA ' ' HA ' ' A' ' 79' ' ' CYS 0.492 24.8 t80 -58.92 147.8 32.72 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 129.034 2.934 . . . . 0.0 114.557 -175.593 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.1 mt -90.44 111.69 23.8 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.585 1 C-N-CA 132.022 4.129 . . . . 0.0 104.28 178.674 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . 0.305 3.7 p-10 -74.99 95.92 3.09 Favored 'General case' 0 C--N 1.367 1.358 0 CA-C-O 122.644 1.212 . . . . 0.0 113.573 -176.583 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . 0.291 3.7 mmp_? -51.06 -91.86 0.0 OUTLIER 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 131.256 3.822 . . . . 0.0 115.62 -178.073 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -102.24 111.27 64.25 Favored Pre-proline 0 N--CA 1.448 -0.556 0 CA-C-O 115.357 -2.258 . . . . 0.0 105.831 163.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -59.63 -26.38 81.92 Favored 'Trans proline' 0 C--N 1.355 0.869 1 C-N-CA 126.529 4.819 . . . . 0.0 115.433 -178.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -67.33 -23.52 65.63 Favored 'General case' 0 C--N 1.361 1.103 0 C-N-CA 127.034 2.133 . . . . 0.0 111.215 169.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -76.22 -44.24 38.5 Favored 'General case' 0 C--N 1.365 1.282 0 O-C-N 119.213 -2.179 . . . . 0.0 110.048 170.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 49.3 mt -66.18 -50.1 71.17 Favored 'Isoleucine or valine' 0 C--N 1.36 1.06 0 C-N-CA 129.339 3.056 . . . . 0.0 111.344 179.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 71.9 mtt85 -70.22 -23.37 62.92 Favored 'General case' 0 C--N 1.361 1.09 0 O-C-N 118.571 -2.581 . . . . 0.0 114.082 174.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -78.97 -37.6 39.08 Favored 'General case' 0 C--N 1.373 1.63 0 C-N-CA 125.183 1.393 . . . . 0.0 111.195 171.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . 0.443 36.8 mt-30 -58.64 -46.83 86.27 Favored 'General case' 0 C--N 1.37 1.462 0 C-N-CA 128.519 2.728 . . . . 0.0 112.935 171.522 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -81.42 -49.63 10.42 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 115.447 1.647 . . . . 0.0 115.447 175.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -82.68 -54.15 5.37 Favored 'General case' 0 C--N 1.363 1.157 0 N-CA-C 117.939 2.57 . . . . 0.0 117.939 -172.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.3 mt -83.39 -52.38 6.58 Favored 'General case' 0 C--N 1.362 1.123 0 C-N-CA 126.618 1.967 . . . . 0.0 115.798 -175.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.543 ' HG2' HH21 ' A' ' 33' ' ' ARG . 31.6 tt0 -59.33 -20.19 52.57 Favored 'General case' 0 C--N 1.372 1.577 0 C-N-CA 128.543 2.737 . . . . 0.0 114.75 -176.349 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 2.6 mtmp? -91.5 -5.16 54.63 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 113.547 -1.661 . . . . 0.0 115.32 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -91.02 41.5 1.07 Allowed 'General case' 0 C--N 1.354 0.796 0 C-N-CA 128.329 2.652 . . . . 0.0 113.304 179.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 75.7 tttt -78.63 58.76 2.32 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 127.12 2.168 . . . . 0.0 113.4 -178.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm . . . . . 0 C--N 1.361 1.073 0 C-N-CA 129.465 3.106 . . . . 0.0 114.3 -179.988 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.495 -1.182 0 N-CA-C 109.699 -1.36 . . . . 0.0 109.699 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.49 162.26 32.75 Favored 'General case' 0 CA--C 1.5 -0.956 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 178.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 56.93 -52.65 0.03 OUTLIER 'General case' 0 C--N 1.362 1.134 0 C-N-CA 130.036 3.335 . . . . 0.0 118.312 174.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -95.08 -32.16 13.24 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 127.762 2.425 . . . . 0.0 109.406 172.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.302 0.5 OUTLIER 42.2 44.93 3.41 Favored 'General case' 0 C--N 1.38 1.926 0 C-N-CA 130.656 3.583 . . . . 0.0 115.449 -177.009 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.51 -40.24 64.19 Favored 'General case' 0 C--N 1.359 0.996 0 C-N-CA 129.447 3.099 . . . . 0.0 116.335 -168.206 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 78.7 4.39 2.51 Favored 'General case' 0 C--N 1.366 1.325 0 C-N-CA 128.953 2.901 . . . . 0.0 112.254 -177.182 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 79.24 17.38 0.87 Allowed 'General case' 0 C--N 1.363 1.161 0 C-N-CA 128.334 2.654 . . . . 0.0 111.822 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.3 m -60.43 52.62 0.01 OUTLIER 'General case' 0 C--N 1.361 1.104 1 C-N-CA 132.357 4.263 . . . . 0.0 120.294 -172.198 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -147.4 148.95 31.84 Favored 'General case' 0 C--N 1.359 1.016 0 C-N-CA 125.526 1.53 . . . . 0.0 110.37 172.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -141.85 109.89 6.07 Favored Pre-proline 0 C--N 1.351 0.636 1 N-CA-C 99.597 -4.223 . . . . 0.0 99.597 171.24 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -85.82 68.8 5.15 Favored 'Trans proline' 0 C--N 1.345 0.346 0 CA-C-N 124.604 2.68 . . . . 0.0 116.362 -165.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 12.8 mp0 -108.53 -49.72 3.13 Favored 'General case' 0 C--N 1.354 0.803 0 C-N-CA 126.763 2.025 . . . . 0.0 111.544 178.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 18.4 mp0 -69.13 -19.74 64.04 Favored 'General case' 0 C--N 1.362 1.11 0 C-N-CA 130.63 3.572 . . . . 0.0 111.632 176.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -94.85 15.4 18.64 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 127.767 2.427 . . . . 0.0 111.467 176.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.4 ' HE2' ' CE2' ' A' ' 72' ' ' TRP . 1.0 OUTLIER -74.36 -24.09 59.11 Favored 'General case' 0 C--N 1.381 1.969 0 O-C-N 120.643 -1.286 . . . . 0.0 111.412 170.626 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -73.87 -41.99 61.41 Favored 'General case' 0 C--N 1.365 1.255 0 O-C-N 119.823 -1.798 . . . . 0.0 112.218 171.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -71.4 -53.86 12.63 Favored 'General case' 0 C--N 1.363 1.185 0 N-CA-C 115.745 1.758 . . . . 0.0 115.745 171.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.253 23.6 m-85 -74.59 -43.75 54.06 Favored 'General case' 0 C--N 1.371 1.532 0 O-C-N 120.014 -1.679 . . . . 0.0 115.362 -178.481 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . 0.396 3.9 t -69.08 -29.33 67.41 Favored 'General case' 0 C--N 1.371 1.507 0 N-CA-C 115.714 1.746 . . . . 0.0 115.714 176.322 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -69.82 -38.17 76.47 Favored 'General case' 0 C--N 1.37 1.477 0 C-N-CA 125.526 1.531 . . . . 0.0 111.306 173.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -74.86 -49.56 20.05 Favored 'General case' 0 C--N 1.366 1.304 0 C-N-CA 125.046 1.338 . . . . 0.0 113.244 170.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.419 ' CE1' ' CE2' ' A' ' 46' ' ' TYR 0.264 44.0 t80 -63.13 -48.27 79.22 Favored 'General case' 0 C--N 1.367 1.369 0 C-N-CA 126.362 1.865 . . . . 0.0 113.458 179.138 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.474 HH21 ' HG ' ' A' ' 79' ' ' CYS 0.303 1.0 OUTLIER -69.21 -29.21 67.12 Favored 'General case' 0 C--N 1.371 1.505 0 CA-C-N 123.402 2.819 . . . . 0.0 113.743 174.031 . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -68.06 -51.38 47.32 Favored 'General case' 0 C--N 1.368 1.406 0 CA-C-N 121.451 1.932 . . . . 0.0 114.363 170.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.402 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 65.0 m-20 -70.51 -38.44 74.29 Favored 'General case' 0 C--N 1.356 0.873 0 N-CA-C 114.615 1.339 . . . . 0.0 114.615 178.159 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -67.56 -47.9 68.51 Favored 'General case' 0 C--N 1.37 1.49 0 C-N-CA 128.29 2.636 . . . . 0.0 111.408 173.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.41 HD22 ' HE ' ' A' ' 24' ' ' ARG 0.301 15.5 mt -66.51 -34.78 78.68 Favored 'General case' 0 C--N 1.38 1.926 0 CA-C-O 117.092 -1.433 . . . . 0.0 113.016 173.17 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -58.98 -53.98 52.31 Favored 'General case' 0 C--N 1.375 1.68 0 CA-C-N 121.572 1.987 . . . . 0.0 113.37 168.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' A' ' 26' ' ' ASP . 2.7 tp -57.03 -37.93 72.44 Favored 'General case' 0 C--N 1.359 1.001 0 C-N-CA 128.013 2.525 . . . . 0.0 114.602 176.142 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.7 tt -67.7 -54.23 21.14 Favored 'General case' 0 C--N 1.37 1.493 0 C-N-CA 131.24 3.816 . . . . 0.0 111.32 175.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 34.0 mtp180 -66.13 -45.73 80.0 Favored 'General case' 0 C--N 1.357 0.919 0 C-N-CA 128.215 2.606 . . . . 0.0 116.45 177.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . 0.289 5.0 ptt180 -72.08 -51.21 22.61 Favored 'General case' 0 CA--C 1.472 -2.053 0 N-CA-C 117.248 2.314 . . . . 0.0 117.248 170.092 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.43 ' HA ' ' HZ3' ' A' ' 108' ' ' LYS . 15.9 mtt180 -82.56 -32.93 28.28 Favored 'General case' 0 N--CA 1.438 -1.044 0 C-N-CA 118.268 -1.373 . . . . 0.0 114.178 -167.353 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -111.33 -40.56 4.37 Favored 'General case' 0 C--N 1.358 0.956 0 C-N-CA 125.693 1.597 . . . . 0.0 111.595 -174.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 78.31 -107.92 2.55 Favored Glycine 0 C--N 1.377 2.859 0 C-N-CA 127.861 2.648 . . . . 0.0 111.141 -168.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.8 p -124.56 108.29 11.93 Favored 'General case' 0 N--CA 1.442 -0.866 0 N-CA-C 104.053 -2.573 . . . . 0.0 104.053 171.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -147.8 150.3 33.96 Favored 'General case' 0 CA--C 1.509 -0.603 0 C-N-CA 125.48 1.512 . . . . 0.0 108.718 176.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.96 107.4 7.01 Favored 'General case' 0 C--N 1.366 1.319 0 CA-C-O 123.38 1.562 . . . . 0.0 110.25 172.13 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.4 p -147.95 144.85 19.05 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.896 0 N-CA-C 106.228 -1.767 . . . . 0.0 106.228 -172.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 65.3 t-80 -75.07 131.93 40.92 Favored 'General case' 0 C--N 1.357 0.933 0 C-N-CA 127.065 2.146 . . . . 0.0 111.627 -178.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -53.64 -39.69 65.22 Favored 'General case' 0 C--N 1.377 1.8 0 N-CA-C 115.539 1.681 . . . . 0.0 115.539 -176.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.261 36.0 m120 -58.06 -26.9 63.1 Favored 'General case' 0 C--N 1.365 1.26 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 172.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.42 ' HA ' ' ND2' ' A' ' 47' ' ' ASN . 6.9 mt -76.39 -42.49 36.24 Favored 'Isoleucine or valine' 0 C--N 1.369 1.43 0 C-N-CA 127.029 2.132 . . . . 0.0 112.019 172.369 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.1 m -73.32 -31.53 34.18 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.245 0 O-C-N 121.097 -1.002 . . . . 0.0 110.822 173.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.465 ' O ' HG12 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -66.24 -53.22 39.65 Favored 'General case' 0 C--N 1.388 2.265 0 C-N-CA 128.261 2.624 . . . . 0.0 110.571 172.659 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.42 ' ND2' ' HA ' ' A' ' 44' ' ' ILE . 15.2 p30 -63.72 -28.31 69.8 Favored 'General case' 0 C--N 1.386 2.19 0 C-N-CA 125.188 1.395 . . . . 0.0 113.534 177.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.62 -41.53 45.64 Favored 'General case' 0 C--N 1.368 1.404 0 CA-C-N 114.641 -1.163 . . . . 0.0 110.799 179.264 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -64.11 -52.44 59.17 Favored 'General case' 0 C--N 1.367 1.341 0 C-N-CA 129.971 3.308 . . . . 0.0 112.023 172.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.465 HG12 ' O ' ' A' ' 46' ' ' TYR . 2.9 pt -77.55 -17.55 14.21 Favored 'Isoleucine or valine' 0 C--N 1.357 0.909 0 N-CA-C 118.436 2.754 . . . . 0.0 118.436 -177.191 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.0 t -78.89 55.99 1.84 Allowed 'General case' 0 CA--C 1.564 1.516 0 O-C-N 120.28 -1.513 . . . . 0.0 110.318 171.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 49.5 m-70 -154.59 -170.01 3.39 Favored 'General case' 0 CA--C 1.545 0.787 2 C-N-CA 133.976 4.91 . . . . 0.0 99.656 -174.579 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.7 -40.38 96.96 Favored 'General case' 0 C--N 1.367 1.342 0 O-C-N 118.313 -2.742 . . . . 0.0 117.733 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -61.4 12.76 0.01 OUTLIER 'General case' 0 N--CA 1.444 -0.755 2 C-N-CA 136.167 5.787 . . . . 0.0 122.305 -170.261 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . 0.326 4.9 t-160 -35.95 56.21 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.893 1 N-CA-C 124.577 5.028 . . . . 0.0 124.577 -175.606 . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 96.7 mt -91.34 104.39 15.44 Favored 'Isoleucine or valine' 0 C--N 1.355 0.84 0 C-N-CA 131.672 3.989 . . . . 0.0 106.798 172.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -91.73 -176.54 4.5 Favored 'General case' 0 CA--C 1.518 -0.272 0 O-C-N 120.368 -1.458 . . . . 0.0 109.795 -179.187 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 12.3 tpp -62.38 -10.15 10.45 Favored 'General case' 0 C--N 1.378 1.838 0 O-C-N 118.695 -2.503 . . . . 0.0 114.122 174.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -86.04 -1.94 57.84 Favored 'General case' 0 N--CA 1.424 -1.755 1 C-N-CA 133.438 4.695 . . . . 0.0 112.794 178.124 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -117.4 20.3 13.66 Favored 'General case' 0 C--N 1.368 1.398 0 C-N-CA 126.66 1.984 . . . . 0.0 113.19 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . 0.29 4.7 t -148.41 172.26 14.72 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.846 1.258 . . . . 0.0 110.295 -177.159 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -80.73 -1.27 42.02 Favored 'General case' 0 C--N 1.374 1.65 0 N-CA-C 117.153 2.279 . . . . 0.0 117.153 -173.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 1.5 m-90 -99.45 108.82 21.38 Favored 'General case' 0 C--N 1.353 0.733 0 C-N-CA 127.421 2.288 . . . . 0.0 106.127 176.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -79.03 -37.68 38.48 Favored 'General case' 0 C--N 1.36 1.038 0 CA-C-O 122.991 1.376 . . . . 0.0 112.367 -177.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 78.4 p -103.24 167.63 9.7 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 125.624 1.57 . . . . 0.0 107.288 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.9 tp -71.44 -34.63 70.43 Favored 'General case' 0 C--N 1.364 1.232 0 O-C-N 120.177 -1.577 . . . . 0.0 112.588 176.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 26.1 m -57.31 -38.76 74.52 Favored 'General case' 0 C--N 1.359 0.985 0 C-N-CA 131.526 3.93 . . . . 0.0 111.894 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -72.09 -30.49 65.15 Favored 'General case' 0 C--N 1.363 1.155 0 N-CA-C 115.658 1.725 . . . . 0.0 115.658 174.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -73.19 -35.11 66.32 Favored 'General case' 0 C--N 1.373 1.609 0 C-N-CA 124.799 1.24 . . . . 0.0 110.019 172.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . 0.361 0.7 OUTLIER -71.78 -34.35 69.35 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 125.978 1.711 . . . . 0.0 112.885 177.149 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.644 ' HA ' ' HZ2' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -62.15 -45.19 94.52 Favored 'General case' 0 C--N 1.374 1.668 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 167.184 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.4 ' CE2' ' HE2' ' A' ' 16' ' ' MET . 79.8 t90 -76.14 -48.54 20.22 Favored 'General case' 0 C--N 1.366 1.308 0 C-N-CA 125.384 1.473 . . . . 0.0 112.461 -177.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . 0.598 0.2 OUTLIER -65.67 -34.08 77.39 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 128.678 2.791 . . . . 0.0 116.652 177.754 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -59.47 -28.05 64.32 Favored Glycine 0 C--N 1.342 0.881 0 C-N-CA 129.041 3.21 . . . . 0.0 117.207 163.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -82.26 -39.9 22.33 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 126.831 2.053 . . . . 0.0 116.361 -176.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -76.16 -17.88 59.36 Favored 'General case' 0 C--N 1.356 0.881 0 C-N-CA 126.173 1.789 . . . . 0.0 114.905 -172.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.58 23.71 45.78 Favored Glycine 0 C--N 1.354 1.582 0 C-N-CA 120.305 -0.95 . . . . 0.0 115.129 179.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.424 ' HB2' HH21 ' A' ' 24' ' ' ARG . 0.5 OUTLIER -102.28 -33.15 9.71 Favored 'General case' 0 C--O 1.211 -0.929 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 171.519 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.474 ' HG ' HH21 ' A' ' 24' ' ' ARG . 5.0 m -136.72 138.34 40.89 Favored 'General case' 0 C--N 1.36 1.047 0 CA-C-N 122.46 2.391 . . . . 0.0 115.909 178.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -107.18 123.39 48.2 Favored 'General case' 0 C--N 1.37 1.475 0 CA-C-N 120.313 1.415 . . . . 0.0 111.998 178.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -99.58 156.84 3.91 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.123 0 O-C-N 118.82 -2.425 . . . . 0.0 116.955 -170.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -145.71 149.37 34.31 Favored 'General case' 0 C--N 1.358 0.948 0 CA-C-N 111.953 -2.385 . . . . 0.0 109.395 177.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -121.07 139.51 53.22 Favored 'General case' 0 C--N 1.365 1.263 0 O-C-N 120.224 -1.548 . . . . 0.0 110.313 177.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 33.3 p -120.33 176.22 1.93 Allowed Pre-proline 0 CA--C 1.497 -1.069 0 C-N-CA 129.903 3.281 . . . . 0.0 109.511 -178.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -69.16 -3.69 12.11 Favored 'Trans proline' 0 N--CA 1.44 -1.629 0 N-CA-C 118.297 2.383 . . . . 0.0 118.297 166.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -111.89 -6.33 14.26 Favored 'General case' 0 C--N 1.364 1.214 0 CA-C-N 120.634 1.561 . . . . 0.0 112.684 -177.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 152.27 -162.97 30.07 Favored Glycine 0 C--N 1.362 2.003 0 O-C-N 120.716 -1.24 . . . . 0.0 114.98 -176.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 19.0 m95 -109.4 115.26 29.62 Favored 'General case' 0 C--N 1.359 1.016 0 C-N-CA 127.311 2.244 . . . . 0.0 109.525 177.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -107.93 143.2 36.9 Favored 'General case' 0 C--N 1.362 1.113 0 C-N-CA 128.282 2.633 . . . . 0.0 107.491 -177.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 8.6 pt -125.93 137.41 57.8 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.057 0 N-CA-C 105.973 -1.862 . . . . 0.0 105.973 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . 0.288 16.4 pt20 -119.7 111.39 17.97 Favored 'General case' 0 N--CA 1.427 -1.585 0 N-CA-C 103.679 -2.712 . . . . 0.0 103.679 171.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . 0.503 19.7 t80 -59.43 147.99 34.42 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 127.993 2.517 . . . . 0.0 114.829 -175.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.9 mt -90.92 115.38 30.01 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.059 0 C-N-CA 130.666 3.586 . . . . 0.0 102.5 177.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . 0.266 1.2 p30 -63.48 -9.36 12.45 Favored 'General case' 0 C--N 1.355 0.824 0 N-CA-C 121.48 3.882 . . . . 0.0 121.48 -169.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . 0.312 28.6 mmm180 65.48 -101.01 0.07 Allowed 'General case' 0 C--N 1.347 0.484 0 C-N-CA 129.328 3.051 . . . . 0.0 110.752 177.519 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -103.34 107.5 55.95 Favored Pre-proline 0 CA--C 1.519 -0.238 0 CA-C-O 113.709 -3.043 . . . . 0.0 105.941 159.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.83 -15.11 30.54 Favored 'Trans proline' 0 C--N 1.357 1.011 1 CA-C-N 128.493 4.069 . . . . 0.0 118.043 -176.223 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -66.5 -25.78 66.85 Favored 'General case' 0 C--N 1.367 1.347 0 CA-C-N 120.362 1.437 . . . . 0.0 109.815 167.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -60.99 -36.4 79.35 Favored 'General case' 0 C--N 1.372 1.583 0 O-C-N 119.639 -1.913 . . . . 0.0 113.217 171.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.7 mm -73.9 -50.5 28.6 Favored 'Isoleucine or valine' 0 C--N 1.366 1.295 0 C-N-CA 130.824 3.65 . . . . 0.0 110.755 177.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -70.23 -40.28 74.57 Favored 'General case' 0 C--N 1.36 1.051 0 C-N-CA 126.816 2.047 . . . . 0.0 110.89 -177.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 -69.62 -25.77 64.11 Favored 'General case' 0 C--N 1.371 1.519 0 O-C-N 120.524 -1.36 . . . . 0.0 111.36 169.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . 0.418 22.9 mt-30 -72.99 -43.24 62.41 Favored 'General case' 0 C--N 1.367 1.344 0 N-CA-C 116.692 2.108 . . . . 0.0 116.692 172.079 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.21 -40.91 23.12 Favored 'General case' 0 C--N 1.351 0.662 0 O-C-N 119.928 -1.732 . . . . 0.0 112.671 178.123 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 78.1 mt-10 -82.49 -55.75 4.29 Favored 'General case' 0 C--N 1.364 1.196 0 N-CA-C 117.021 2.23 . . . . 0.0 117.021 -175.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 9.1 mt -83.09 -46.84 12.31 Favored 'General case' 0 C--N 1.364 1.237 0 N-CA-C 116.073 1.879 . . . . 0.0 116.073 -174.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -66.4 -8.33 25.06 Favored 'General case' 0 C--N 1.366 1.322 0 C-N-CA 128.751 2.82 . . . . 0.0 114.297 -178.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.43 ' HZ3' ' HA ' ' A' ' 34' ' ' ARG . 31.1 mmtp -105.87 -2.96 22.43 Favored 'General case' 0 C--N 1.347 0.493 0 C-N-CA 126.51 1.924 . . . . 0.0 114.625 -179.578 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -66.3 88.03 0.12 Allowed 'General case' 0 C--N 1.357 0.898 0 C-N-CA 127.952 2.501 . . . . 0.0 115.699 -178.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . 0.276 67.6 mttm 88.97 27.12 0.03 OUTLIER 'General case' 0 C--N 1.363 1.175 0 C-N-CA 129.79 3.236 . . . . 0.0 111.777 -177.683 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 73.9 tttt . . . . . 0 C--N 1.362 1.14 0 C-N-CA 124.984 1.313 . . . . 0.0 111.725 179.777 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.492 -1.369 0 N-CA-C 108.351 -1.9 . . . . 0.0 108.351 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -79.55 -97.45 0.03 OUTLIER 'General case' 0 C--N 1.357 0.893 0 C-N-CA 128.53 2.732 . . . . 0.0 113.22 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.8 mpp_? -87.27 62.17 7.09 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 127.924 2.49 . . . . 0.0 111.613 -177.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 -90.14 -15.74 30.96 Favored 'General case' 0 C--N 1.358 0.968 0 C-N-CA 128.355 2.662 . . . . 0.0 113.885 -179.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 mm? 70.15 -54.22 0.62 Allowed 'General case' 0 C--N 1.365 1.248 0 C-N-CA 128.795 2.838 . . . . 0.0 114.686 178.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . 0.256 6.1 tp 69.82 -60.98 0.46 Allowed 'General case' 0 C--N 1.357 0.924 0 C-N-CA 128.797 2.839 . . . . 0.0 118.56 173.193 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.289 54.2 mt 74.92 -26.01 0.2 Allowed 'General case' 0 C--N 1.359 1.018 0 C-N-CA 130.214 3.405 . . . . 0.0 116.649 -178.736 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 79.62 26.77 0.37 Allowed 'General case' 0 C--N 1.357 0.902 0 C-N-CA 126.936 2.095 . . . . 0.0 114.087 172.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.3 m -65.33 52.08 0.03 OUTLIER 'General case' 0 C--N 1.361 1.08 0 N-CA-C 119.718 3.229 . . . . 0.0 119.718 -173.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -89.5 -20.83 23.37 Favored 'General case' 0 C--N 1.357 0.93 0 C-N-CA 126.826 2.05 . . . . 0.0 111.54 175.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 45.3 m-20 81.89 65.78 0.12 Allowed Pre-proline 0 C--N 1.362 1.117 0 C-N-CA 130.695 3.598 . . . . 0.0 111.419 179.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.67 -24.42 21.78 Favored 'Trans proline' 0 C--N 1.371 1.737 1 C-N-CA 125.388 4.059 . . . . 0.0 115.818 -167.471 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -81.64 -7.75 59.63 Favored 'General case' 0 C--N 1.369 1.438 0 C-N-CA 127.799 2.439 . . . . 0.0 112.413 176.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -103.95 -54.8 2.49 Favored 'General case' 0 C--N 1.36 1.064 0 C-N-CA 128.374 2.669 . . . . 0.0 106.193 174.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -84.82 36.43 0.61 Allowed 'General case' 0 C--N 1.352 0.707 0 C-N-CA 126.66 1.984 . . . . 0.0 114.007 177.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 7.2 tpt -55.42 -41.73 73.17 Favored 'General case' 0 C--N 1.381 1.958 0 C-N-CA 130.25 3.42 . . . . 0.0 109.327 171.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -52.04 -44.78 64.38 Favored 'General case' 0 C--N 1.363 1.16 0 C-N-CA 128.585 2.754 . . . . 0.0 115.226 176.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -69.79 -51.97 29.25 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 125.167 1.387 . . . . 0.0 113.913 174.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -70.93 -37.12 72.89 Favored 'General case' 0 C--N 1.366 1.307 0 C-N-CA 125.232 1.413 . . . . 0.0 113.378 -178.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . 0.307 88.3 p -72.57 -31.71 65.46 Favored 'General case' 0 C--N 1.369 1.423 0 C-N-CA 124.841 1.256 . . . . 0.0 112.933 172.041 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -70.92 -48.71 52.11 Favored 'General case' 0 C--N 1.369 1.423 0 CA-C-N 121.01 1.732 . . . . 0.0 113.482 168.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -63.47 -41.54 98.59 Favored 'General case' 0 C--N 1.379 1.888 0 C-N-CA 125.801 1.64 . . . . 0.0 113.676 178.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.401 ' CZ ' ' CE1' ' A' ' 46' ' ' TYR . 21.3 t80 -73.39 -52.72 12.79 Favored 'General case' 0 C--N 1.358 0.953 0 C-N-CA 124.45 1.1 . . . . 0.0 113.005 169.159 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.481 HH11 HD13 ' A' ' 28' ' ' LEU . 16.5 ttp85 -66.97 -43.93 81.81 Favored 'General case' 0 C--N 1.363 1.196 0 CA-C-N 123.26 2.754 . . . . 0.0 116.076 -177.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -60.02 -49.92 75.75 Favored 'General case' 0 C--N 1.371 1.507 0 CA-C-N 122.458 2.39 . . . . 0.0 114.798 176.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -76.5 -34.07 58.62 Favored 'General case' 0 C--N 1.362 1.12 0 C-N-CA 127.476 2.31 . . . . 0.0 115.382 176.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -71.81 -42.49 66.96 Favored 'General case' 0 C--N 1.366 1.321 0 C-N-CA 125.406 1.483 . . . . 0.0 111.006 173.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.481 HD13 HH11 ' A' ' 24' ' ' ARG . 9.3 mt -67.08 -38.79 86.36 Favored 'General case' 0 C--N 1.379 1.871 0 C-N-CA 126.418 1.887 . . . . 0.0 111.726 178.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.09 -51.62 65.81 Favored 'General case' 0 C--N 1.359 0.994 0 C-N-CA 129.393 3.077 . . . . 0.0 113.004 172.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -76.2 -34.42 59.28 Favored 'General case' 0 C--N 1.363 1.194 0 C-N-CA 128.161 2.584 . . . . 0.0 114.538 178.094 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 tt -60.08 -50.74 72.51 Favored 'General case' 0 C--N 1.368 1.37 0 C-N-CA 131.091 3.756 . . . . 0.0 109.657 173.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.0 mtp180 -61.0 -44.03 98.01 Favored 'General case' 0 C--N 1.366 1.324 0 C-N-CA 128.311 2.645 . . . . 0.0 115.462 170.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . 0.38 1.7 ptp85 -73.29 -53.73 10.12 Favored 'General case' 0 C--N 1.38 1.924 0 N-CA-C 118.644 2.831 . . . . 0.0 118.644 170.001 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 24.6 mmt85 -82.48 -31.01 29.55 Favored 'General case' 0 C--N 1.353 0.728 0 N-CA-C 113.977 1.103 . . . . 0.0 113.977 -165.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -111.71 -35.34 5.78 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.494 1.518 . . . . 0.0 110.378 -177.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.44 -100.2 1.78 Allowed Glycine 0 C--N 1.387 3.371 0 C-N-CA 127.783 2.611 . . . . 0.0 109.327 -173.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.43 HG23 ' CD1' ' A' ' 92' ' ' TYR . 23.6 p -134.26 108.02 8.0 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 100.574 -3.862 . . . . 0.0 100.574 166.368 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.8 ttmt -150.0 142.58 24.49 Favored 'General case' 0 CA--C 1.501 -0.941 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.33 109.68 4.85 Favored 'General case' 0 C--N 1.354 0.783 0 C-N-CA 126.941 2.096 . . . . 0.0 112.452 173.498 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.4 p -150.56 155.18 7.75 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.083 0 N-CA-C 104.686 -2.339 . . . . 0.0 104.686 -173.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -86.54 132.73 33.84 Favored 'General case' 0 C--N 1.369 1.421 0 CA-C-O 125.488 2.566 . . . . 0.0 108.913 177.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.404 ' CB ' HD23 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -53.88 -30.9 47.83 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 128.144 2.578 . . . . 0.0 116.59 -178.539 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.01 -27.59 66.69 Favored 'General case' 0 C--N 1.358 0.937 0 C-N-CA 126.111 1.765 . . . . 0.0 110.812 176.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.8 mt -74.57 -44.51 47.05 Favored 'Isoleucine or valine' 0 C--N 1.369 1.442 0 O-C-N 120.226 -1.546 . . . . 0.0 110.734 169.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . 0.252 1.9 m -70.44 -36.05 64.75 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.325 0 C-N-CA 126.22 1.808 . . . . 0.0 113.987 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.437 ' O ' HG12 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -62.56 -50.92 69.4 Favored 'General case' 0 C--N 1.384 2.084 0 C-N-CA 129.111 2.964 . . . . 0.0 111.199 173.504 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -63.51 -27.17 69.08 Favored 'General case' 0 C--N 1.358 0.963 0 C-N-CA 129.507 3.123 . . . . 0.0 112.619 175.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -78.25 -38.08 43.67 Favored 'General case' 0 C--N 1.361 1.072 0 C-N-CA 124.524 1.13 . . . . 0.0 112.574 172.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -65.58 -45.84 81.71 Favored 'General case' 0 C--N 1.359 1.006 0 C-N-CA 129.954 3.302 . . . . 0.0 113.927 175.336 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.437 HG12 ' O ' ' A' ' 46' ' ' TYR . 2.6 pt -77.14 -20.6 14.36 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.751 0 N-CA-C 120.198 3.407 . . . . 0.0 120.198 -175.206 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.2 t -74.01 50.24 0.36 Allowed 'General case' 0 CA--C 1.565 1.547 0 O-C-N 119.75 -1.844 . . . . 0.0 112.977 176.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 -150.95 -162.74 1.61 Allowed 'General case' 0 N--CA 1.442 -0.841 1 C-N-CA 133.47 4.708 . . . . 0.0 104.159 -169.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.72 -37.47 76.53 Favored 'General case' 0 C--N 1.369 1.431 0 N-CA-C 116.116 1.895 . . . . 0.0 116.116 176.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -69.19 11.47 0.22 Allowed 'General case' 0 CA--C 1.502 -0.88 1 C-N-CA 133.614 4.766 . . . . 0.0 120.208 -168.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . 0.323 31.7 t-80 -43.11 92.9 0.01 OUTLIER 'General case' 0 C--N 1.361 1.07 0 N-CA-C 119.253 3.057 . . . . 0.0 119.253 -178.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 76.7 mt -124.63 152.54 30.79 Favored 'Isoleucine or valine' 0 C--N 1.354 0.783 1 C-N-CA 131.913 4.085 . . . . 0.0 106.242 179.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.559 ' CG ' HD21 ' A' ' 59' ' ' ASN . 3.7 t-160 -114.82 149.47 37.0 Favored 'General case' 0 C--N 1.347 0.469 0 N-CA-C 103.746 -2.687 . . . . 0.0 103.746 168.157 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -51.76 -22.28 3.45 Favored 'General case' 0 C--N 1.378 1.819 0 N-CA-C 118.245 2.683 . . . . 0.0 118.245 -176.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.559 HD21 ' CG ' ' A' ' 57' ' ' HIS . 21.8 m-80 -69.6 -22.1 63.53 Favored 'General case' 0 N--CA 1.428 -1.557 1 C-N-CA 132.737 4.415 . . . . 0.0 111.118 -178.344 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -80.18 30.94 0.27 Allowed 'General case' 0 C--N 1.384 2.108 0 C-N-CA 127.655 2.382 . . . . 0.0 116.391 173.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 30.8 p -129.26 -154.23 0.62 Allowed 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 126.483 1.913 . . . . 0.0 111.893 -171.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -116.68 10.01 14.22 Favored 'General case' 0 C--N 1.373 1.59 0 CA-C-O 124.06 1.886 . . . . 0.0 109.769 171.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 3.0 m0 -98.4 106.18 18.42 Favored 'General case' 0 N--CA 1.435 -1.221 0 C-N-CA 128.323 2.649 . . . . 0.0 105.656 178.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -77.34 -7.26 55.76 Favored 'General case' 0 C--N 1.364 1.236 0 C-N-CA 127.436 2.295 . . . . 0.0 114.921 -175.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.1 t -163.46 161.08 24.03 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 100.233 -3.988 . . . . 0.0 100.233 -178.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.404 HD23 ' CB ' ' A' ' 42' ' ' ASN . 4.3 tp -56.92 -34.16 67.69 Favored 'General case' 0 C--N 1.369 1.415 0 C-N-CA 127.221 2.208 . . . . 0.0 114.199 -176.471 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.463 HG21 ' CZ2' ' A' ' 88' ' ' TRP . 44.5 m -55.86 -41.29 74.13 Favored 'General case' 0 C--N 1.359 1.015 0 C-N-CA 130.567 3.547 . . . . 0.0 112.893 -177.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -71.42 -27.36 63.24 Favored 'General case' 0 C--N 1.354 0.766 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 177.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -70.04 -38.61 75.89 Favored 'General case' 0 C--N 1.372 1.555 0 CA-C-O 123.515 1.626 . . . . 0.0 110.037 170.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.69 -33.59 71.07 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 126.306 1.842 . . . . 0.0 112.211 178.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.649 ' HA ' ' HZ2' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -65.54 -39.21 91.48 Favored 'General case' 0 C--N 1.378 1.813 0 C-N-CA 124.809 1.244 . . . . 0.0 114.198 168.074 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 70.7 t90 -76.02 -55.63 5.42 Favored 'General case' 0 C--N 1.368 1.374 0 C-N-CA 126.151 1.781 . . . . 0.0 112.417 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . 0.421 0.0 OUTLIER -65.32 -35.05 79.8 Favored 'General case' 0 C--N 1.352 0.682 0 C-N-CA 126.743 2.017 . . . . 0.0 114.775 178.562 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -61.24 -30.57 74.3 Favored Glycine 0 C--N 1.371 2.482 0 C-N-CA 126.785 2.136 . . . . 0.0 114.625 163.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -83.25 -31.82 26.77 Favored 'General case' 0 C--N 1.364 1.225 0 C-N-CA 126.389 1.876 . . . . 0.0 114.57 177.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -79.05 -7.07 57.82 Favored 'General case' 0 C--N 1.367 1.339 0 O-C-N 120.667 -1.271 . . . . 0.0 112.82 176.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 84.4 34.04 18.04 Favored Glycine 0 C--N 1.358 1.769 0 C-N-CA 124.485 1.04 . . . . 0.0 113.963 178.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.47 4.85 15.38 Favored 'General case' 0 C--N 1.365 1.25 0 CA-C-O 123.042 1.401 . . . . 0.0 108.777 176.464 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.465 ' SG ' ' HB ' ' A' ' 90' ' ' ILE . 26.3 t -154.62 152.53 30.11 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 116.638 2.088 . . . . 0.0 116.638 174.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 63.3 mttt -114.81 110.45 19.72 Favored 'General case' 0 N--CA 1.431 -1.415 1 C-N-CA 131.856 4.062 . . . . 0.0 104.842 168.628 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -112.43 146.88 16.63 Favored 'Isoleucine or valine' 0 C--N 1.352 0.716 0 O-C-N 118.73 -2.481 . . . . 0.0 112.976 -172.437 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -143.87 154.44 43.37 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 125.138 1.375 . . . . 0.0 111.723 175.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 77.6 tt0 -124.76 139.84 53.48 Favored 'General case' 0 C--N 1.369 1.445 0 O-C-N 119.828 -1.795 . . . . 0.0 111.51 179.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 61.7 p -119.21 176.81 1.55 Allowed Pre-proline 0 C--N 1.357 0.898 0 C-N-CA 130.969 3.708 . . . . 0.0 110.546 -178.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -69.95 -8.37 23.44 Favored 'Trans proline' 0 N--CA 1.442 -1.531 0 N-CA-C 118.206 2.349 . . . . 0.0 118.206 166.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.95 -6.1 14.26 Favored 'General case' 0 C--N 1.365 1.266 0 CA-C-N 121.596 1.998 . . . . 0.0 112.64 -178.526 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 156.16 -177.49 33.17 Favored Glycine 0 C--N 1.358 1.773 0 O-C-N 120.23 -1.544 . . . . 0.0 114.642 -177.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.463 ' CZ2' HG21 ' A' ' 67' ' ' THR . 9.2 m95 -93.37 107.39 19.23 Favored 'General case' 0 C--N 1.359 1.006 0 C-N-CA 129.32 3.048 . . . . 0.0 110.322 178.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -102.19 126.17 49.09 Favored 'General case' 0 C--N 1.355 0.813 0 N-CA-C 105.734 -1.95 . . . . 0.0 105.734 -178.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.465 ' HB ' ' SG ' ' A' ' 79' ' ' CYS . 1.0 OUTLIER -115.22 136.01 53.34 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.668 0 N-CA-C 103.525 -2.768 . . . . 0.0 103.525 -174.495 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -128.54 113.92 16.09 Favored 'General case' 0 CA--C 1.486 -1.518 1 N-CA-C 98.051 -4.796 . . . . 0.0 98.051 179.697 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.43 ' CD1' HG23 ' A' ' 37' ' ' THR 0.547 0.0 OUTLIER -72.98 147.99 44.66 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.569 1.148 . . . . 0.0 111.64 -178.038 . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -86.71 119.27 34.37 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.071 0 C-N-CA 128.007 2.523 . . . . 0.0 105.833 -177.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . 0.269 4.5 p-10 -76.62 97.92 4.55 Favored 'General case' 0 C--N 1.362 1.139 0 CA-C-N 120.734 1.606 . . . . 0.0 112.282 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . 0.256 25.1 mmm180 -43.35 -77.17 0.02 OUTLIER 'General case' 0 C--N 1.359 1.005 1 C-N-CA 131.704 4.001 . . . . 0.0 114.263 -178.796 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -102.97 133.2 20.49 Favored Pre-proline 0 CA--C 1.537 0.459 0 CA-C-O 113.663 -3.065 . . . . 0.0 104.655 153.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -68.98 -18.95 40.47 Favored 'Trans proline' 0 C--N 1.36 1.139 2 CA-C-N 129.706 4.502 . . . . 0.0 112.846 174.352 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -67.33 -28.4 67.95 Favored 'General case' 0 C--N 1.364 1.229 0 C-N-CA 124.7 1.2 . . . . 0.0 110.967 168.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.403 ' O ' ' HB2' ' A' ' 103' ' ' GLN 0.297 0.5 OUTLIER -65.39 -34.57 78.61 Favored 'General case' 0 C--N 1.373 1.625 0 O-C-N 119.637 -1.915 . . . . 0.0 112.992 175.366 . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.7 mp -73.28 -51.0 27.61 Favored 'Isoleucine or valine' 0 C--N 1.376 1.726 0 C-N-CA 130.675 3.59 . . . . 0.0 110.466 173.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 43.3 mtp-105 -67.68 -38.58 83.93 Favored 'General case' 0 C--N 1.369 1.445 0 O-C-N 120.01 -1.681 . . . . 0.0 112.656 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 8.4 mmt180 -73.1 -22.7 60.51 Favored 'General case' 0 C--N 1.372 1.578 0 C-N-CA 125.765 1.626 . . . . 0.0 110.251 171.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.403 ' HB2' ' O ' ' A' ' 99' ' ' THR 0.271 0.0 OUTLIER -69.4 -54.95 11.86 Favored 'General case' 0 C--N 1.363 1.172 0 N-CA-C 115.306 1.595 . . . . 0.0 115.306 170.504 . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.27 -43.1 43.25 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 125.391 1.476 . . . . 0.0 114.874 -177.353 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -81.74 -38.44 25.7 Favored 'General case' 0 C--N 1.367 1.357 0 N-CA-C 116.391 1.997 . . . . 0.0 116.391 -174.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 8.8 mt -80.46 -23.25 40.34 Favored 'General case' 0 C--N 1.365 1.262 0 O-C-N 120.415 -1.428 . . . . 0.0 114.36 -178.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 56.4 tt0 -60.79 -13.76 17.29 Favored 'General case' 0 C--N 1.365 1.265 0 C-N-CA 130.799 3.639 . . . . 0.0 112.225 175.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -96.77 -11.95 24.31 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 126.847 2.059 . . . . 0.0 113.332 -177.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -112.78 53.87 0.73 Allowed 'General case' 0 C--N 1.354 0.763 0 C-N-CA 127.299 2.24 . . . . 0.0 111.105 -175.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -90.91 2.32 56.3 Favored 'General case' 0 C--N 1.359 0.996 0 C-N-CA 125.353 1.461 . . . . 0.0 114.598 -177.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 59.1 tptt . . . . . 0 C--N 1.352 0.685 0 N-CA-C 106.217 -1.772 . . . . 0.0 106.217 178.131 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.487 -1.659 0 N-CA-C 107.433 -2.267 . . . . 0.0 107.433 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -112.5 -3.3 14.44 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 129.166 2.987 . . . . 0.0 109.332 176.133 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.1 ttt85 -171.97 -165.36 0.35 Allowed 'General case' 0 C--N 1.361 1.107 0 C-N-CA 126.449 1.9 . . . . 0.0 109.027 -172.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 31.3 tp60 64.55 -46.96 0.32 Allowed 'General case' 0 C--N 1.369 1.417 0 C-N-CA 130.864 3.666 . . . . 0.0 118.689 175.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.342 3.7 mm? 87.8 59.92 0.01 OUTLIER 'General case' 0 C--N 1.354 0.763 0 C-N-CA 130.103 3.361 . . . . 0.0 109.79 -178.132 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.8 mt -79.46 151.15 31.0 Favored 'General case' 0 C--N 1.356 0.88 0 C-N-CA 127.652 2.381 . . . . 0.0 114.433 178.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 58.9 mt -108.13 36.01 2.94 Favored 'General case' 0 C--N 1.364 1.208 0 CA-C-O 123.989 1.852 . . . . 0.0 107.069 172.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 77.01 -59.18 0.49 Allowed 'General case' 0 N--CA 1.437 -1.086 0 C-N-CA 131.179 3.792 . . . . 0.0 110.506 -178.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.285 86.5 p 71.59 45.12 0.47 Allowed 'General case' 0 C--N 1.362 1.116 0 C-N-CA 129.331 3.052 . . . . 0.0 112.181 176.065 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -85.48 -28.43 25.0 Favored 'General case' 0 C--N 1.362 1.124 0 N-CA-C 115.693 1.738 . . . . 0.0 115.693 -173.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 65.11 54.36 1.15 Allowed Pre-proline 0 C--N 1.356 0.874 0 C-N-CA 128.128 2.571 . . . . 0.0 117.305 -177.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_endo -75.31 53.82 3.59 Favored 'Trans proline' 0 C--N 1.361 1.232 1 C-N-CA 125.381 4.054 . . . . 0.0 111.935 176.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -69.43 -35.59 75.85 Favored 'General case' 0 C--N 1.37 1.473 0 C-N-CA 129.655 3.182 . . . . 0.0 111.187 179.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -71.26 -8.64 54.98 Favored 'General case' 0 C--N 1.358 0.968 0 C-N-CA 126.958 2.103 . . . . 0.0 113.389 174.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -114.94 19.79 15.56 Favored 'General case' 0 C--N 1.363 1.166 0 C-N-CA 126.543 1.937 . . . . 0.0 108.882 178.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.411 ' HE1' ' CZ2' ' A' ' 63' ' ' TRP . 1.0 OUTLIER -62.11 -37.24 84.35 Favored 'General case' 0 C--N 1.388 2.278 0 C-N-CA 126.717 2.007 . . . . 0.0 112.621 178.609 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -56.07 -52.48 64.12 Favored 'General case' 0 C--N 1.368 1.371 0 C-N-CA 127.373 2.269 . . . . 0.0 113.251 171.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -70.97 -52.7 18.22 Favored 'General case' 0 C--N 1.366 1.288 0 N-CA-C 116.052 1.871 . . . . 0.0 116.052 172.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.369 63.0 m-85 -73.6 -33.81 64.76 Favored 'General case' 0 C--N 1.374 1.672 0 CA-C-N 120.076 1.307 . . . . 0.0 113.486 -175.185 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.3 t -73.24 -31.27 64.02 Favored 'General case' 0 C--N 1.378 1.836 0 O-C-N 121.028 -1.045 . . . . 0.0 113.431 168.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -70.94 -48.98 50.43 Favored 'General case' 0 C--N 1.372 1.568 0 CA-C-N 121.934 2.152 . . . . 0.0 113.497 171.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -65.87 -41.11 92.03 Favored 'General case' 0 C--N 1.372 1.568 0 C-N-CA 125.379 1.472 . . . . 0.0 113.442 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.434 ' CZ ' ' CE2' ' A' ' 46' ' ' TYR . 11.0 t80 -73.4 -53.94 9.51 Favored 'General case' 0 C--N 1.366 1.308 0 O-C-N 121.118 -0.989 . . . . 0.0 112.754 168.466 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.3 36.6 ttp85 -70.43 -35.48 73.42 Favored 'General case' 0 C--N 1.368 1.392 0 N-CA-C 119.563 3.172 . . . . 0.0 119.563 -175.423 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -62.95 -51.12 68.11 Favored 'General case' 0 C--N 1.379 1.855 0 CA-C-N 122.238 2.29 . . . . 0.0 113.307 176.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -69.59 -44.24 71.19 Favored 'General case' 0 C--N 1.358 0.947 0 C-N-CA 128.356 2.663 . . . . 0.0 113.704 174.094 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -63.48 -46.59 85.47 Favored 'General case' 0 C--N 1.368 1.408 0 C-N-CA 126.212 1.805 . . . . 0.0 113.122 175.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.8 mp -66.29 -35.84 81.42 Favored 'General case' 0 C--N 1.382 2.005 0 CA-C-N 121.227 1.83 . . . . 0.0 112.588 175.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -59.65 -53.21 60.68 Favored 'General case' 0 C--N 1.363 1.194 0 C-N-CA 126.9 2.08 . . . . 0.0 113.298 172.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.431 HD23 ' HG2' ' A' ' 48' ' ' GLU . 0.4 OUTLIER -64.96 -37.52 87.93 Favored 'General case' 0 C--N 1.358 0.953 0 C-N-CA 129.077 2.951 . . . . 0.0 115.507 178.088 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 tt -64.41 -51.26 64.08 Favored 'General case' 0 C--N 1.374 1.642 0 C-N-CA 131.316 3.846 . . . . 0.0 109.507 171.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.4 mtm180 -62.95 -46.73 86.38 Favored 'General case' 0 C--N 1.362 1.14 0 N-CA-C 116.016 1.858 . . . . 0.0 116.016 174.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . 0.322 13.6 ptt180 -72.58 -53.67 11.29 Favored 'General case' 0 CA--C 1.494 -1.207 0 N-CA-C 119.819 3.266 . . . . 0.0 119.819 172.453 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.451 HH21 ' HG2' ' A' ' 48' ' ' GLU . 9.7 mtm180 -83.12 -20.5 34.71 Favored 'General case' 0 C--N 1.357 0.919 0 N-CA-C 114.57 1.322 . . . . 0.0 114.57 -171.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -120.7 -35.64 3.33 Favored 'General case' 0 C--N 1.358 0.97 0 C-N-CA 125.216 1.406 . . . . 0.0 112.996 -176.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 72.67 -117.0 5.93 Favored Glycine 0 C--N 1.396 3.862 0 O-C-N 119.135 -2.228 . . . . 0.0 111.163 -165.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.448 HG23 ' CD2' ' A' ' 92' ' ' TYR . 27.4 p -122.85 108.19 12.73 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 101.731 -3.433 . . . . 0.0 101.731 169.39 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -140.56 143.12 35.17 Favored 'General case' 0 CA--C 1.505 -0.751 0 C-N-CA 124.54 1.136 . . . . 0.0 109.715 178.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.34 108.14 11.46 Favored 'General case' 0 C--N 1.362 1.145 0 CA-C-O 124.615 2.15 . . . . 0.0 110.307 170.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.2 p -143.74 156.46 16.22 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.107 0 C-N-CA 128.115 2.566 . . . . 0.0 104.308 -167.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -83.66 141.38 31.54 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 120.021 -1.675 . . . . 0.0 110.762 178.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -63.43 -28.14 69.77 Favored 'General case' 0 C--N 1.363 1.184 0 N-CA-C 116.79 2.144 . . . . 0.0 116.79 -177.466 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.469 ' O ' ' HB3' ' A' ' 47' ' ' ASN . 4.2 t-20 -63.68 -49.36 73.46 Favored 'General case' 0 C--N 1.373 1.589 0 C-N-CA 126.312 1.845 . . . . 0.0 108.619 170.167 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.258 4.4 mt -54.27 -42.05 55.18 Favored 'Isoleucine or valine' 0 C--N 1.365 1.274 0 CA-C-N 121.587 1.994 . . . . 0.0 116.244 172.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.0 m -71.86 -39.65 67.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 O-C-N 120.589 -1.319 . . . . 0.0 112.044 174.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.434 ' CE2' ' CZ ' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -65.06 -51.31 62.19 Favored 'General case' 0 C--N 1.384 2.07 0 C-N-CA 127.46 2.304 . . . . 0.0 111.427 175.638 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.469 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -59.22 -30.1 68.0 Favored 'General case' 0 C--N 1.367 1.351 0 C-N-CA 130.378 3.471 . . . . 0.0 113.793 176.402 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.451 ' HG2' HH21 ' A' ' 34' ' ' ARG . 22.5 tt0 -81.3 -45.48 16.15 Favored 'General case' 0 C--N 1.364 1.215 0 C-N-CA 126.003 1.721 . . . . 0.0 111.261 177.388 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.446 ' CE2' ' CG2' ' A' ' 50' ' ' ILE . 0.2 OUTLIER -57.21 -45.52 83.72 Favored 'General case' 0 C--N 1.37 1.482 0 C-N-CA 129.565 3.146 . . . . 0.0 113.298 176.401 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.446 ' CG2' ' CE2' ' A' ' 49' ' ' TYR . 9.5 pt -80.26 -1.38 4.66 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.614 0 N-CA-C 121.058 3.725 . . . . 0.0 121.058 -176.279 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.9 t -84.41 8.34 16.6 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 119.623 1.101 . . . . 0.0 112.736 175.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 69.3 m-70 -98.84 -155.11 0.49 Allowed 'General case' 0 CA--C 1.553 1.083 1 C-N-CA 132.395 4.278 . . . . 0.0 106.595 174.1 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.69 -40.72 84.37 Favored 'General case' 0 C--N 1.369 1.451 0 O-C-N 118.152 -2.842 . . . . 0.0 116.854 179.667 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -63.61 11.75 0.03 OUTLIER 'General case' 0 CA--C 1.498 -1.048 1 C-N-CA 135.912 5.685 . . . . 0.0 121.224 -169.285 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.408 ' HD2' ' HB ' ' A' ' 50' ' ' ILE 0.304 30.0 t-80 -47.57 102.74 0.03 OUTLIER 'General case' 0 C--N 1.367 1.351 0 C-N-CA 127.378 2.271 . . . . 0.0 117.085 -178.451 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 37.3 mt -134.22 162.46 39.07 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.054 1 C-N-CA 133.919 4.888 . . . . 0.0 100.879 -177.464 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -134.68 154.23 51.63 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 102.629 -3.1 . . . . 0.0 102.629 165.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.68 -13.76 0.28 Allowed 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 119.878 3.288 . . . . 0.0 119.878 -172.535 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -85.68 -20.26 29.66 Favored 'General case' 0 N--CA 1.417 -2.107 1 C-N-CA 132.574 4.35 . . . . 0.0 109.735 -173.551 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -92.65 46.65 1.25 Allowed 'General case' 0 C--N 1.381 1.972 0 C-N-CA 130.585 3.554 . . . . 0.0 113.567 175.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . 0.297 10.1 t -162.75 -171.74 2.83 Favored 'General case' 0 C--N 1.356 0.881 0 O-C-N 121.657 -0.652 . . . . 0.0 110.538 -174.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -73.97 -26.1 60.29 Favored 'General case' 0 C--N 1.364 1.213 0 C-N-CA 126.694 1.998 . . . . 0.0 116.169 -175.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.411 ' CZ2' ' HE1' ' A' ' 16' ' ' MET . 0.9 OUTLIER -92.79 117.33 29.9 Favored 'General case' 0 N--CA 1.438 -1.032 0 C-N-CA 126.119 1.768 . . . . 0.0 109.633 -177.327 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -68.7 -49.18 60.97 Favored 'General case' 0 C--N 1.364 1.232 0 C-N-CA 125.033 1.333 . . . . 0.0 114.047 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 67.7 p -105.36 157.47 17.31 Favored 'General case' 0 C--N 1.35 0.623 0 C-N-CA 126.437 1.895 . . . . 0.0 106.144 -178.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.6 tp -66.7 -28.15 68.21 Favored 'General case' 0 C--N 1.37 1.47 0 O-C-N 119.082 -2.262 . . . . 0.0 112.943 178.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.488 HG21 ' CZ2' ' A' ' 88' ' ' TRP . 33.1 m -58.21 -40.54 81.87 Favored 'General case' 0 C--N 1.36 1.039 1 C-N-CA 133.163 4.585 . . . . 0.0 110.785 176.943 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -72.76 -29.61 63.46 Favored 'General case' 0 C--N 1.357 0.91 0 N-CA-C 116.903 2.186 . . . . 0.0 116.903 172.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.41 ' CZ ' HD21 ' A' ' 73' ' ' LEU . 49.7 t80 -72.78 -34.88 67.23 Favored 'General case' 0 C--N 1.373 1.589 0 C-N-CA 125.143 1.377 . . . . 0.0 109.757 172.089 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . 0.293 0.8 OUTLIER -72.0 -37.66 69.79 Favored 'General case' 0 C--N 1.357 0.905 0 C-N-CA 126.437 1.895 . . . . 0.0 110.838 175.043 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.0 mmtt -63.17 -38.62 91.89 Favored 'General case' 0 C--N 1.378 1.817 0 N-CA-C 115.806 1.78 . . . . 0.0 115.806 167.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 86.7 t90 -80.57 -51.29 8.92 Favored 'General case' 0 C--N 1.361 1.099 0 C-N-CA 124.719 1.208 . . . . 0.0 113.537 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.508 ' HG ' ' HG ' ' A' ' 79' ' ' CYS . 0.5 OUTLIER -65.54 -35.29 80.42 Favored 'General case' 0 C--N 1.361 1.088 0 C-N-CA 127.542 2.337 . . . . 0.0 115.693 179.141 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -63.61 -27.73 71.42 Favored Glycine 0 C--N 1.364 2.13 0 C-N-CA 127.405 2.431 . . . . 0.0 113.666 167.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -82.17 -18.3 43.24 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 126.55 1.94 . . . . 0.0 115.916 179.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -76.77 -20.93 55.91 Favored 'General case' 0 C--N 1.352 0.691 0 O-C-N 120.719 -1.238 . . . . 0.0 113.26 178.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.66 20.97 41.85 Favored Glycine 0 C--N 1.373 2.637 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 -172.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.4 mt -101.06 -42.13 6.5 Favored 'General case' 0 CA--C 1.471 -2.072 0 C-N-CA 125.343 1.457 . . . . 0.0 111.307 175.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.508 ' HG ' ' HG ' ' A' ' 73' ' ' LEU . 14.3 m -123.53 156.64 35.27 Favored 'General case' 0 C--O 1.225 -0.191 0 N-CA-C 117.141 2.274 . . . . 0.0 117.141 -178.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 45.7 mttt -114.69 142.89 45.89 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 130.75 3.62 . . . . 0.0 106.257 176.139 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -139.1 141.81 35.32 Favored 'Isoleucine or valine' 0 C--N 1.352 0.694 0 O-C-N 118.956 -2.34 . . . . 0.0 111.748 -171.404 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -141.6 150.64 42.28 Favored 'General case' 0 C--N 1.363 1.164 0 CA-C-N 114.795 -1.093 . . . . 0.0 109.789 174.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -121.36 139.29 53.63 Favored 'General case' 0 C--N 1.366 1.324 0 O-C-N 120.509 -1.369 . . . . 0.0 109.24 177.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.401 ' HB ' ' CD ' ' A' ' 85' ' ' PRO . 36.1 p -119.91 176.81 1.61 Allowed Pre-proline 0 CA--C 1.499 -1.006 0 C-N-CA 129.506 3.122 . . . . 0.0 109.446 -178.008 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.401 ' CD ' ' HB ' ' A' ' 84' ' ' THR . 19.3 Cg_exo -69.72 -1.55 8.62 Favored 'Trans proline' 0 N--CA 1.44 -1.665 0 N-CA-C 117.995 2.267 . . . . 0.0 117.995 165.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -116.55 -6.54 11.67 Favored 'General case' 0 C--N 1.363 1.155 0 CA-C-N 120.97 1.714 . . . . 0.0 113.293 -178.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 157.44 -162.64 32.07 Favored Glycine 0 C--N 1.362 2.015 0 O-C-N 120.187 -1.571 . . . . 0.0 114.795 -178.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.488 ' CZ2' HG21 ' A' ' 67' ' ' THR . 10.3 m95 -110.34 117.4 33.52 Favored 'General case' 0 C--N 1.363 1.16 0 C-N-CA 127.232 2.213 . . . . 0.0 107.406 178.116 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -112.39 125.65 54.43 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 126.639 1.976 . . . . 0.0 106.438 -176.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -114.26 141.81 29.19 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 C-N-CA 127.971 2.508 . . . . 0.0 107.384 177.294 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -123.47 144.99 49.18 Favored 'General case' 0 N--CA 1.439 -0.996 0 N-CA-C 101.325 -3.583 . . . . 0.0 101.325 173.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.448 ' CD2' HG23 ' A' ' 37' ' ' THR 0.637 0.1 OUTLIER -96.67 150.4 20.72 Favored 'General case' 0 N--CA 1.449 -0.492 0 O-C-N 118.855 -2.403 . . . . 0.0 110.352 179.946 . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . 0.264 1.9 mm -85.69 121.45 37.25 Favored 'Isoleucine or valine' 0 C--N 1.351 0.65 1 C-N-CA 132.306 4.242 . . . . 0.0 102.561 -179.329 . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . 0.345 12.5 p-10 -78.64 81.66 4.93 Favored 'General case' 0 C--N 1.366 1.317 0 O-C-N 118.908 -2.37 . . . . 0.0 114.294 -177.093 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.477 ' HE ' ' HA ' ' A' ' 95' ' ' ARG . 1.1 mmp_? -37.59 -96.13 0.0 OUTLIER 'General case' 0 C--N 1.364 1.228 1 C-N-CA 131.846 4.058 . . . . 0.0 116.112 177.553 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -102.8 115.49 64.15 Favored Pre-proline 0 C--N 1.345 0.386 0 O-C-N 120.298 -1.501 . . . . 0.0 107.919 163.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -61.43 -28.37 83.72 Favored 'Trans proline' 0 C--N 1.354 0.833 1 C-N-CA 126.618 4.879 . . . . 0.0 114.359 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -71.12 -20.29 62.34 Favored 'General case' 0 C--N 1.358 0.96 0 C-N-CA 127.492 2.317 . . . . 0.0 111.38 170.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -77.08 -47.23 21.08 Favored 'General case' 0 C--N 1.371 1.505 0 O-C-N 119.44 -2.037 . . . . 0.0 109.129 167.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 66.7 mt -64.92 -50.32 75.6 Favored 'Isoleucine or valine' 0 C--N 1.361 1.093 0 C-N-CA 129.452 3.101 . . . . 0.0 112.635 -178.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -70.53 -24.3 62.79 Favored 'General case' 0 C--N 1.36 1.04 0 O-C-N 119.161 -2.212 . . . . 0.0 113.517 175.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.4 mpt_? -79.92 -34.7 38.71 Favored 'General case' 0 C--N 1.371 1.506 0 C-N-CA 125.347 1.459 . . . . 0.0 109.635 174.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . 0.459 37.6 mt-30 -60.6 -47.76 84.77 Favored 'General case' 0 C--N 1.366 1.292 0 C-N-CA 127.382 2.273 . . . . 0.0 112.963 170.36 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -81.28 -44.57 17.5 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 116.472 2.027 . . . . 0.0 116.472 178.047 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -83.66 -57.95 3.01 Favored 'General case' 0 C--N 1.357 0.927 0 N-CA-C 117.467 2.395 . . . . 0.0 117.467 -176.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.1 mt -80.44 -49.94 10.75 Favored 'General case' 0 C--N 1.365 1.25 0 C-N-CA 127.011 2.124 . . . . 0.0 116.006 -172.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -58.9 -11.76 3.7 Favored 'General case' 0 C--N 1.371 1.506 0 C-N-CA 129.627 3.171 . . . . 0.0 115.539 -177.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp -89.67 -15.48 32.54 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.304 1.842 . . . . 0.0 113.238 177.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.7 tmmm? -105.27 -120.49 0.22 Allowed 'General case' 0 C--N 1.359 1.006 0 C-N-CA 126.819 2.048 . . . . 0.0 110.557 -177.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . 0.25 48.4 mttp 71.97 -50.38 0.69 Allowed 'General case' 0 C--N 1.364 1.22 0 C-N-CA 128.373 2.669 . . . . 0.0 116.539 179.489 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 65.5 tttm . . . . . 0 C--N 1.352 0.705 0 C-N-CA 126.37 1.868 . . . . 0.0 109.037 -179.368 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.498 -0.991 0 N-CA-C 110.286 -1.126 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -39.04 150.97 0.03 OUTLIER 'General case' 0 C--N 1.36 1.048 1 C-N-CA 131.94 4.096 . . . . 0.0 119.821 -178.448 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 50.8 ttt180 69.66 -49.26 0.62 Allowed 'General case' 0 C--N 1.363 1.173 0 N-CA-C 118.376 2.732 . . . . 0.0 118.376 172.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -88.61 -48.42 7.57 Favored 'General case' 0 C--N 1.357 0.905 0 C-N-CA 126.36 1.864 . . . . 0.0 112.736 176.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? 66.33 48.88 1.52 Allowed 'General case' 0 C--N 1.365 1.261 0 C-N-CA 128.977 2.911 . . . . 0.0 112.528 -176.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -75.94 151.24 37.34 Favored 'General case' 0 C--N 1.37 1.473 0 N-CA-C 116.034 1.864 . . . . 0.0 116.034 -177.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.75 31.89 4.45 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-O 123.353 1.549 . . . . 0.0 109.808 177.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 65.24 -53.21 0.34 Allowed 'General case' 0 C--N 1.352 0.694 0 C-N-CA 128.896 2.879 . . . . 0.0 118.11 173.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.4 t -123.44 -143.73 0.33 Allowed 'General case' 0 C--N 1.355 0.808 0 C-N-CA 127.682 2.393 . . . . 0.0 107.206 177.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -177.92 -44.0 0.01 OUTLIER 'General case' 0 CA--C 1.506 -0.733 0 N-CA-C 105.476 -2.046 . . . . 0.0 105.476 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 78.87 70.78 0.17 Allowed Pre-proline 0 C--N 1.356 0.879 0 C-N-CA 130.133 3.373 . . . . 0.0 112.431 -175.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -86.06 20.92 1.15 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 C-N-CA 124.724 3.616 . . . . 0.0 111.91 175.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -64.34 -33.94 76.99 Favored 'General case' 0 C--N 1.372 1.583 0 C-N-CA 130.655 3.582 . . . . 0.0 114.01 -178.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -66.27 -9.98 37.87 Favored 'General case' 0 C--N 1.363 1.191 0 C-N-CA 130.533 3.533 . . . . 0.0 114.674 174.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -105.17 15.23 27.83 Favored 'General case' 0 C--N 1.359 0.988 0 C-N-CA 127.96 2.504 . . . . 0.0 111.156 179.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 16.4 tpt -61.21 -37.27 82.39 Favored 'General case' 0 C--N 1.384 2.098 0 C-N-CA 125.612 1.565 . . . . 0.0 112.368 175.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -60.8 -46.45 90.48 Favored 'General case' 0 C--N 1.362 1.139 0 O-C-N 119.63 -1.919 . . . . 0.0 114.312 173.097 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -70.64 -52.76 19.14 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 126.793 2.037 . . . . 0.0 115.141 174.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.257 19.1 m-85 -73.88 -32.31 63.54 Favored 'General case' 0 C--N 1.364 1.198 0 C-N-CA 125.513 1.525 . . . . 0.0 113.831 -178.259 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . 0.478 28.5 p -73.13 -29.72 63.09 Favored 'General case' 0 C--N 1.371 1.517 0 O-C-N 120.907 -1.12 . . . . 0.0 113.518 169.66 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -69.56 -36.03 75.94 Favored 'General case' 0 C--N 1.368 1.411 0 O-C-N 120.339 -1.476 . . . . 0.0 112.035 170.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -74.97 -49.15 20.98 Favored 'General case' 0 C--N 1.363 1.166 0 O-C-N 120.37 -1.457 . . . . 0.0 113.915 172.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.455 ' CZ ' ' CE1' ' A' ' 46' ' ' TYR . 25.6 t80 -73.34 -53.12 11.57 Favored 'General case' 0 C--N 1.366 1.311 0 O-C-N 120.566 -1.334 . . . . 0.0 114.529 177.671 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.398 0.0 OUTLIER -66.93 -32.37 73.57 Favored 'General case' 0 C--N 1.367 1.358 0 CA-C-N 122.109 2.231 . . . . 0.0 116.188 -178.762 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -69.82 -51.17 35.93 Favored 'General case' 0 C--N 1.367 1.341 0 O-C-N 118.913 -2.367 . . . . 0.0 114.992 171.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -68.22 -45.02 74.43 Favored 'General case' 0 C--N 1.363 1.189 0 C-N-CA 126.783 2.033 . . . . 0.0 112.717 -179.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -69.08 -39.32 79.12 Favored 'General case' 0 C--N 1.361 1.099 0 C-N-CA 127.238 2.215 . . . . 0.0 110.788 175.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . 0.302 8.2 mt -66.2 -37.18 84.96 Favored 'General case' 0 C--N 1.383 2.053 0 CA-C-N 121.948 2.158 . . . . 0.0 113.068 171.245 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -65.07 -49.62 69.37 Favored 'General case' 0 C--N 1.365 1.262 0 CA-C-N 121.429 1.922 . . . . 0.0 114.796 172.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.29 -37.51 87.55 Favored 'General case' 0 C--N 1.361 1.091 0 C-N-CA 127.085 2.154 . . . . 0.0 115.063 177.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.82 -39.86 76.25 Favored 'General case' 0 C--N 1.366 1.324 0 C-N-CA 128.634 2.774 . . . . 0.0 112.243 171.01 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 84.0 mtm180 -75.18 -41.79 57.24 Favored 'General case' 0 C--N 1.377 1.791 0 O-C-N 120.863 -1.148 . . . . 0.0 113.422 178.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . 0.343 5.1 ptm180 -71.92 -53.36 13.37 Favored 'General case' 0 C--N 1.373 1.622 0 N-CA-C 117.465 2.395 . . . . 0.0 117.465 170.271 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -82.16 -29.54 31.51 Favored 'General case' 0 C--N 1.354 0.775 0 O-C-N 120.518 -1.364 . . . . 0.0 114.166 -168.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -111.82 -31.86 6.81 Favored 'General case' 0 C--N 1.354 0.763 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 -173.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 78.71 -108.39 2.65 Favored Glycine 0 C--N 1.383 3.172 0 O-C-N 119.896 -1.753 . . . . 0.0 112.591 176.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -138.84 109.26 6.51 Favored 'General case' 0 CA--C 1.501 -0.917 0 N-CA-C 101.56 -3.496 . . . . 0.0 101.56 165.104 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.3 ttmt -159.68 155.96 26.96 Favored 'General case' 0 N--CA 1.437 -1.118 0 N-CA-C 103.943 -2.614 . . . . 0.0 103.943 -177.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -70.48 107.79 4.0 Favored 'General case' 0 CA--C 1.57 1.719 0 C-N-CA 126.373 1.869 . . . . 0.0 110.139 172.236 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -122.39 153.34 26.92 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.106 0 O-C-N 118.424 -2.672 . . . . 0.0 105.898 -176.27 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 65.0 t-80 -93.92 119.74 33.24 Favored 'General case' 0 C--N 1.35 0.603 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 174.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 41.0 m-20 -54.73 -29.88 54.71 Favored 'General case' 0 C--N 1.369 1.419 0 N-CA-C 117.944 2.572 . . . . 0.0 117.944 -174.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -65.94 -26.8 67.75 Favored 'General case' 0 C--N 1.367 1.329 0 C-N-CA 127.322 2.249 . . . . 0.0 112.725 170.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 20.1 mt -75.45 -42.39 42.61 Favored 'Isoleucine or valine' 0 C--N 1.367 1.362 0 C-N-CA 126.136 1.774 . . . . 0.0 110.12 171.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.1 m -72.82 -36.36 52.04 Favored 'Isoleucine or valine' 0 C--N 1.367 1.364 0 C-N-CA 124.756 1.223 . . . . 0.0 113.249 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.455 ' CE1' ' CZ ' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -61.18 -51.15 70.22 Favored 'General case' 0 C--N 1.385 2.123 0 C-N-CA 126.926 2.09 . . . . 0.0 111.08 176.552 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 55.1 m-80 -63.74 -27.84 69.47 Favored 'General case' 0 C--N 1.363 1.168 0 C-N-CA 130.215 3.406 . . . . 0.0 113.334 175.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -73.56 -41.44 62.94 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.302 1.041 . . . . 0.0 112.67 170.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . 0.276 1.1 t80 -67.44 -52.47 39.24 Favored 'General case' 0 C--N 1.365 1.245 0 C-N-CA 129.804 3.242 . . . . 0.0 113.667 176.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.413 HG12 ' O ' ' A' ' 46' ' ' TYR . 4.2 pt -76.3 -4.73 6.48 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 N-CA-C 118.511 2.782 . . . . 0.0 118.511 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 68.2 m -82.94 55.8 3.21 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.683 1.993 . . . . 0.0 108.241 170.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 78.2 m-70 -171.12 -172.73 1.16 Allowed 'General case' 0 C--N 1.356 0.884 1 C-N-CA 132.388 4.275 . . . . 0.0 101.571 -170.739 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.35 -36.66 71.48 Favored 'General case' 0 C--N 1.375 1.688 0 N-CA-C 118.984 2.957 . . . . 0.0 118.984 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -67.56 12.31 0.1 Allowed 'General case' 0 CA--C 1.496 -1.122 2 C-N-CA 134.589 5.156 . . . . 0.0 121.818 -167.213 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . 0.343 11.9 t-80 -41.22 95.38 0.01 OUTLIER 'General case' 0 C--N 1.362 1.141 0 N-CA-C 119.096 2.998 . . . . 0.0 119.096 179.77 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 60.0 mt -134.15 138.16 50.64 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.259 1 C-N-CA 132.846 4.458 . . . . 0.0 101.695 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.402 ' CE1' ' CD1' ' A' ' 50' ' ' ILE . 0.1 OUTLIER -116.86 157.64 25.3 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 104.207 -2.516 . . . . 0.0 104.207 168.877 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.23 -14.48 0.26 Allowed 'General case' 0 C--N 1.365 1.255 0 C-N-CA 129.242 3.017 . . . . 0.0 118.787 -171.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 24.8 m-80 -83.02 -20.61 34.73 Favored 'General case' 0 N--CA 1.426 -1.666 0 C-N-CA 131.477 3.911 . . . . 0.0 108.765 -174.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -89.14 49.22 1.73 Allowed 'General case' 0 C--N 1.383 2.03 0 C-N-CA 128.651 2.78 . . . . 0.0 111.389 169.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 28.9 p -138.99 -143.28 0.16 Allowed 'General case' 0 C--N 1.355 0.847 0 C-N-CA 126.153 1.781 . . . . 0.0 106.716 -177.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -135.82 21.72 3.31 Favored 'General case' 0 C--N 1.365 1.251 0 CA-C-O 124.555 2.121 . . . . 0.0 108.012 174.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.446 ' CE3' ' HB2' ' A' ' 69' ' ' PHE . 3.7 m0 -116.48 156.08 27.48 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 128.863 2.865 . . . . 0.0 108.411 -178.529 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -101.28 -55.57 2.51 Favored 'General case' 0 C--N 1.365 1.249 0 N-CA-C 119.606 3.187 . . . . 0.0 119.606 -170.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.0 t -141.72 35.01 1.61 Allowed 'General case' 0 C--N 1.355 0.832 0 O-C-N 120.155 -1.59 . . . . 0.0 109.602 -169.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . 0.275 3.4 tp 86.73 -41.9 0.04 OUTLIER 'General case' 0 C--N 1.353 0.724 0 C-N-CA 127.619 2.368 . . . . 0.0 112.495 -177.039 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.469 HG21 ' CZ2' ' A' ' 88' ' ' TRP . 45.8 m -56.85 -39.79 74.93 Favored 'General case' 0 CA--C 1.497 -1.075 1 C-N-CA 132.985 4.514 . . . . 0.0 114.643 -172.307 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.25 -27.38 61.55 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 127.879 2.472 . . . . 0.0 116.206 171.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.446 ' HB2' ' CE3' ' A' ' 63' ' ' TRP . 2.8 t80 -75.57 -36.83 60.28 Favored 'General case' 0 C--N 1.363 1.177 0 C-N-CA 126.905 2.082 . . . . 0.0 108.045 172.28 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . 0.374 0.6 OUTLIER -71.76 -34.5 69.54 Favored 'General case' 0 C--N 1.359 1.022 0 C-N-CA 126.672 1.989 . . . . 0.0 110.917 174.797 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.9 mmtt -63.36 -38.17 90.12 Favored 'General case' 0 C--N 1.37 1.467 0 N-CA-C 116.12 1.896 . . . . 0.0 116.12 166.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 91.1 t90 -80.83 -46.92 14.57 Favored 'General case' 0 C--N 1.369 1.441 0 C-N-CA 126.436 1.894 . . . . 0.0 114.537 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . 0.33 2.6 tp -65.48 -34.65 78.78 Favored 'General case' 0 C--N 1.351 0.631 0 O-C-N 118.791 -2.443 . . . . 0.0 112.267 176.39 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.413 ' HA3' ' O ' ' A' ' 79' ' ' CYS . . . -56.94 -34.33 65.37 Favored Glycine 0 C--N 1.373 2.602 0 C-N-CA 128.602 3.001 . . . . 0.0 117.57 158.047 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 64.3 ttt-85 -83.68 -46.74 11.98 Favored 'General case' 0 C--N 1.357 0.91 0 C-N-CA 126.51 1.924 . . . . 0.0 115.84 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -68.06 -14.49 63.02 Favored 'General case' 0 C--N 1.36 1.053 0 C-N-CA 128.47 2.708 . . . . 0.0 114.787 -176.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.45 26.14 28.64 Favored Glycine 0 C--N 1.358 1.769 0 CA-C-O 121.46 0.478 . . . . 0.0 112.845 178.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 87.0 mt -104.29 -31.56 9.51 Favored 'General case' 0 CA--C 1.491 -1.299 0 O-C-N 121.585 -0.95 . . . . 0.0 111.51 176.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.418 ' SG ' HD13 ' A' ' 90' ' ' ILE . 8.0 m -141.89 154.45 45.13 Favored 'General case' 0 CA--C 1.504 -0.809 0 CA-C-N 122.476 2.398 . . . . 0.0 113.487 174.531 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -94.51 144.84 25.24 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 127.456 2.302 . . . . 0.0 105.914 169.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -131.6 155.13 41.46 Favored 'Isoleucine or valine' 0 C--N 1.346 0.431 0 O-C-N 118.128 -2.857 . . . . 0.0 110.639 -175.006 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -151.67 145.5 25.11 Favored 'General case' 0 C--N 1.357 0.926 0 CA-C-N 114.099 -1.41 . . . . 0.0 109.545 175.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -116.1 139.22 50.52 Favored 'General case' 0 C--N 1.364 1.2 0 O-C-N 120.093 -1.629 . . . . 0.0 109.356 176.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 33.3 p -125.05 175.63 2.91 Favored Pre-proline 0 CA--C 1.496 -1.132 0 C-N-CA 127.936 2.495 . . . . 0.0 109.903 -176.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -68.49 -1.6 7.7 Favored 'Trans proline' 0 N--CA 1.442 -1.557 0 N-CA-C 117.778 2.184 . . . . 0.0 117.778 164.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.1 ttpp -123.05 25.89 8.33 Favored 'General case' 0 C--N 1.36 1.041 0 C-N-CA 125.467 1.507 . . . . 0.0 111.122 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 120.42 -163.95 14.01 Favored Glycine 0 C--N 1.367 2.252 0 N-CA-C 118.181 2.032 . . . . 0.0 118.181 175.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.469 ' CZ2' HG21 ' A' ' 67' ' ' THR . 12.3 m95 -104.61 113.32 26.82 Favored 'General case' 0 C--N 1.368 1.392 0 C-N-CA 128.317 2.647 . . . . 0.0 108.613 176.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -109.74 144.53 38.01 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 126.085 1.754 . . . . 0.0 106.55 -178.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.418 HD13 ' SG ' ' A' ' 79' ' ' CYS . 3.5 pt -130.54 136.94 57.35 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.255 0 C-N-CA 127.3 2.24 . . . . 0.0 107.42 -178.298 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . 0.272 0.0 OUTLIER -120.21 107.61 13.2 Favored 'General case' 0 N--CA 1.433 -1.303 0 N-CA-C 101.375 -3.565 . . . . 0.0 101.375 176.081 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . 0.257 87.4 t80 -54.74 148.9 11.96 Favored 'General case' 0 C--N 1.354 0.783 0 C-N-CA 128.666 2.787 . . . . 0.0 114.001 -178.234 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.9 mt -88.05 112.94 24.35 Favored 'Isoleucine or valine' 0 CA--C 1.482 -1.649 0 N-CA-C 104.094 -2.558 . . . . 0.0 104.094 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.457 ' HB2' HG12 ' A' ' 100' ' ' ILE 0.31 7.7 p-10 -76.59 95.01 3.83 Favored 'General case' 0 C--N 1.358 0.949 0 CA-C-O 122.182 0.992 . . . . 0.0 111.088 -178.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 28.3 mtm180 -59.79 -84.56 0.01 OUTLIER 'General case' 0 N--CA 1.441 -0.889 0 C-N-CA 129.762 3.225 . . . . 0.0 113.268 -170.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -102.15 119.31 56.95 Favored Pre-proline 0 CA--C 1.518 -0.28 0 CA-C-O 115.348 -2.263 . . . . 0.0 106.805 162.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -61.09 -25.89 81.93 Favored 'Trans proline' 0 C--N 1.352 0.716 1 C-N-CA 126.667 4.911 . . . . 0.0 115.877 -176.508 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.422 ' O ' ' HB3' ' A' ' 102' ' ' ARG . 8.3 mp0 -62.83 -40.55 97.76 Favored 'General case' 0 C--N 1.374 1.64 0 C-N-CA 124.715 1.206 . . . . 0.0 109.263 166.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.97 -28.0 69.79 Favored 'General case' 0 C--O 1.214 -0.809 0 O-C-N 118.429 -2.669 . . . . 0.0 115.484 172.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.457 HG12 ' HB2' ' A' ' 94' ' ' ASP . 1.8 mp -75.4 -50.54 23.74 Favored 'Isoleucine or valine' 0 C--N 1.362 1.119 0 C-N-CA 128.063 2.545 . . . . 0.0 112.6 168.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -76.01 -41.25 51.62 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 126.166 1.787 . . . . 0.0 114.566 -178.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.422 ' HB3' ' O ' ' A' ' 98' ' ' GLU 0.396 0.0 OUTLIER -71.45 -33.96 69.81 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 126.232 1.813 . . . . 0.0 112.216 179.944 . . . . . . . . 4 4 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -60.45 -35.95 77.05 Favored 'General case' 0 C--N 1.359 1.002 0 C-N-CA 126.191 1.796 . . . . 0.0 115.65 169.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.72 -56.51 3.95 Favored 'General case' 0 C--N 1.359 0.988 0 C-N-CA 124.563 1.145 . . . . 0.0 112.465 172.238 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -66.63 -35.02 79.18 Favored 'General case' 0 C--N 1.367 1.34 0 N-CA-C 116.909 2.188 . . . . 0.0 116.909 -174.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 8.6 mt -83.29 -51.46 7.42 Favored 'General case' 0 C--N 1.364 1.231 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 176.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -67.84 -22.16 65.16 Favored 'General case' 0 C--N 1.368 1.412 0 C-N-CA 126.256 1.822 . . . . 0.0 113.671 -178.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 40.4 mttm -123.02 42.04 3.3 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 113.091 -1.868 . . . . 0.0 112.916 175.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 75.2 tttt -77.07 -38.51 52.4 Favored 'General case' 0 CA--C 1.515 -0.397 0 C-N-CA 127.548 2.339 . . . . 0.0 115.02 -177.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 35.1 mtmm 69.82 -53.87 0.61 Allowed 'General case' 0 C--N 1.36 1.044 0 C-N-CA 128.167 2.587 . . . . 0.0 116.29 178.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 84.0 tttt . . . . . 0 C--N 1.353 0.756 0 C-N-CA 126.25 1.82 . . . . 0.0 110.005 -178.203 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 18.0 tpt . . . . . 0 N--CA 1.478 0.961 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -64.85 -52.57 55.94 Favored 'General case' 0 C--N 1.361 1.091 0 O-C-N 119.627 -1.92 . . . . 0.0 111.923 173.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -71.08 -53.26 15.26 Favored 'General case' 0 C--N 1.359 0.986 0 N-CA-C 117.226 2.306 . . . . 0.0 117.226 174.099 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -73.79 -35.42 64.92 Favored 'General case' 0 C--N 1.363 1.193 0 C-N-CA 124.889 1.276 . . . . 0.0 113.48 -176.497 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . 0.29 5.2 t -72.55 -30.45 64.45 Favored 'General case' 0 C--N 1.374 1.655 0 O-C-N 121.16 -0.962 . . . . 0.0 113.093 173.038 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -70.55 -50.43 37.6 Favored 'General case' 0 C--N 1.371 1.539 0 CA-C-N 119.093 0.861 . . . . 0.0 112.641 172.593 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -66.83 -39.28 87.61 Favored 'General case' 0 C--N 1.37 1.476 0 C-N-CA 125.28 1.432 . . . . 0.0 113.951 175.71 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -71.2 -53.12 15.54 Favored 'General case' 0 C--N 1.372 1.556 0 CA-C-O 116.772 -1.585 . . . . 0.0 112.237 173.283 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.611 HH11 HD12 ' A' ' 28' ' ' LEU 0.361 34.6 ttp85 -70.81 -28.77 64.88 Favored 'General case' 0 C--N 1.373 1.592 0 CA-C-N 123.86 3.027 . . . . 0.0 115.415 177.518 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -64.89 -51.75 60.23 Favored 'General case' 0 C--N 1.37 1.471 0 O-C-N 119.074 -2.266 . . . . 0.0 113.762 174.222 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -77.17 -37.78 53.07 Favored 'General case' 0 C--N 1.354 0.761 0 N-CA-C 114.439 1.274 . . . . 0.0 114.439 175.17 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -69.09 -47.6 64.8 Favored 'General case' 0 C--N 1.365 1.28 0 CA-C-N 121.171 1.805 . . . . 0.0 112.447 178.062 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.698 HD11 HD22 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -66.8 -34.37 77.68 Favored 'General case' 0 C--N 1.368 1.378 0 C-N-CA 125.336 1.454 . . . . 0.0 112.865 176.062 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.02 -44.81 72.0 Favored 'General case' 0 C--N 1.384 2.09 0 N-CA-C 113.137 0.792 . . . . 0.0 113.137 170.386 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.62 -38.13 88.55 Favored 'General case' 0 C--N 1.364 1.22 0 C-N-CA 127.151 2.181 . . . . 0.0 114.419 177.672 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.58 -39.54 91.74 Favored 'General case' 0 C--N 1.363 1.179 0 C-N-CA 130.513 3.525 . . . . 0.0 110.262 171.286 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 41.8 mtm180 -74.98 -47.41 29.45 Favored 'General case' 0 N--CA 1.44 -0.941 0 N-CA-C 116.785 2.143 . . . . 0.0 116.785 176.194 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.419 ' O ' HD22 ' A' ' 104' ' ' LEU 0.322 10.3 ptt180 -72.97 -46.45 52.28 Favored 'General case' 0 CA--C 1.477 -1.847 0 N-CA-C 119.704 3.224 . . . . 0.0 119.704 172.085 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -83.59 -20.99 32.74 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 114.009 1.115 . . . . 0.0 114.009 -173.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -120.16 -40.06 2.75 Favored 'General case' 0 C--N 1.364 1.208 0 CA-C-O 118.148 -0.93 . . . . 0.0 113.234 -175.41 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.23 -118.23 4.65 Favored Glycine 0 C--N 1.39 3.569 0 CA-C-N 123.182 2.719 . . . . 0.0 110.595 -172.511 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.461 HG21 ' HB3' ' A' ' 94' ' ' ASP . 29.7 p -131.56 108.99 9.93 Favored 'General case' 0 C--N 1.351 0.641 0 N-CA-C 102.78 -3.045 . . . . 0.0 102.78 169.219 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -137.61 145.76 43.15 Favored 'General case' 0 CA--C 1.498 -1.022 0 C-N-CA 125.175 1.39 . . . . 0.0 108.34 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.33 108.37 8.06 Favored 'General case' 0 C--N 1.365 1.265 0 CA-C-O 123.353 1.549 . . . . 0.0 108.071 168.568 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.5 p -144.84 154.82 14.29 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.681 0 C-N-CA 125.285 1.434 . . . . 0.0 107.479 -168.418 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 62.2 t-80 -88.69 123.85 33.53 Favored 'General case' 0 C--N 1.358 0.965 0 C-N-CA 124.844 1.258 . . . . 0.0 110.944 -177.184 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.0 m-20 -52.64 -30.89 34.0 Favored 'General case' 0 C--N 1.365 1.258 0 N-CA-C 117.61 2.448 . . . . 0.0 117.61 -177.51 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -69.01 -28.16 66.33 Favored 'General case' 0 C--N 1.371 1.516 0 O-C-N 120.461 -1.4 . . . . 0.0 112.16 173.089 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.2 mt -72.13 -39.04 64.7 Favored 'Isoleucine or valine' 0 C--N 1.37 1.46 0 C-N-CA 126.636 1.975 . . . . 0.0 110.592 173.358 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.8 m -73.11 -41.16 59.02 Favored 'Isoleucine or valine' 0 C--N 1.363 1.192 0 C-N-CA 125.376 1.471 . . . . 0.0 111.249 177.023 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -61.3 -50.72 71.85 Favored 'General case' 0 C--N 1.381 1.977 0 C-N-CA 129.156 2.982 . . . . 0.0 112.35 175.192 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -66.95 -26.77 66.99 Favored 'General case' 0 C--N 1.363 1.189 0 C-N-CA 128.616 2.767 . . . . 0.0 112.779 176.291 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -75.23 -48.85 21.48 Favored 'General case' 0 C--N 1.355 0.807 0 C-N-CA 125.004 1.322 . . . . 0.0 112.037 172.675 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.476 ' CE2' HG23 ' A' ' 50' ' ' ILE . 0.4 OUTLIER -56.69 -52.42 65.01 Favored 'General case' 0 C--N 1.369 1.414 0 C-N-CA 130.796 3.638 . . . . 0.0 112.676 177.623 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.476 HG23 ' CE2' ' A' ' 49' ' ' TYR . 4.2 pt -72.02 -2.94 3.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 N-CA-C 120.951 3.686 . . . . 0.0 120.951 -178.481 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 96.1 p -71.82 -9.72 58.72 Favored 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 126.858 2.063 . . . . 0.0 113.544 175.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 45.5 m-70 -95.36 -153.34 0.39 Allowed 'General case' 0 CA--C 1.557 1.242 0 C-N-CA 131.248 3.819 . . . . 0.0 109.679 175.295 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.02 -43.14 93.41 Favored 'General case' 0 C--N 1.374 1.669 0 O-C-N 118.607 -2.558 . . . . 0.0 116.71 -178.44 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -62.36 11.5 0.02 OUTLIER 'General case' 0 CA--C 1.497 -1.094 1 C-N-CA 137.674 6.39 . . . . 0.0 120.952 -168.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.411 ' HA ' HG22 ' A' ' 50' ' ' ILE 0.332 60.2 t60 -45.76 87.06 0.0 OUTLIER 'General case' 0 C--N 1.365 1.282 0 N-CA-C 118.517 2.784 . . . . 0.0 118.517 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.419 ' O ' HG21 ' A' ' 50' ' ' ILE . 65.0 mt -119.35 143.58 30.28 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.048 1 C-N-CA 132.638 4.375 . . . . 0.0 104.67 178.013 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -108.29 152.35 24.74 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 105.623 -1.991 . . . . 0.0 105.623 169.645 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.99 -25.05 7.52 Favored 'General case' 0 N--CA 1.495 1.793 0 C-N-CA 127.632 2.373 . . . . 0.0 116.961 -178.518 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -73.35 -14.86 61.37 Favored 'General case' 0 CA--C 1.574 1.879 1 C-N-CA 132.772 4.429 . . . . 0.0 111.448 -177.175 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -80.51 -1.75 43.11 Favored 'General case' 0 C--N 1.386 2.191 0 C-N-CA 129.015 2.926 . . . . 0.0 115.309 172.559 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 7.4 p -101.58 175.87 5.42 Favored 'General case' 0 C--N 1.351 0.64 0 C-N-CA 128.806 2.842 . . . . 0.0 110.885 -177.122 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -87.29 0.04 56.0 Favored 'General case' 0 C--N 1.369 1.431 0 O-C-N 120.14 -1.6 . . . . 0.0 113.062 173.37 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 1.9 m-90 -91.52 105.79 18.01 Favored 'General case' 0 C--N 1.36 1.032 0 C-N-CA 127.674 2.389 . . . . 0.0 107.149 177.305 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -74.63 -11.5 60.21 Favored 'General case' 0 C--N 1.362 1.131 0 C-N-CA 126.929 2.092 . . . . 0.0 115.259 -177.34 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 33.9 p -141.01 160.35 40.28 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 103.11 -2.922 . . . . 0.0 103.11 -178.413 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.9 tp -71.33 -26.29 62.77 Favored 'General case' 0 C--N 1.37 1.479 0 O-C-N 119.913 -1.742 . . . . 0.0 111.532 176.317 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.61 HG23 ' CZ2' ' A' ' 88' ' ' TRP . 41.5 m -57.87 -42.95 85.61 Favored 'General case' 0 CA--C 1.49 -1.341 1 C-N-CA 134.02 4.928 . . . . 0.0 110.664 179.434 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.96 -26.87 62.44 Favored 'General case' 0 C--N 1.356 0.856 0 C-N-CA 127.045 2.138 . . . . 0.0 116.583 174.084 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.423 ' CZ ' HD22 ' A' ' 73' ' ' LEU . 3.8 t80 -73.75 -37.09 65.17 Favored 'General case' 0 C--N 1.366 1.293 0 C-N-CA 126.767 2.027 . . . . 0.0 108.764 172.134 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.492 ' HB ' HG21 ' A' ' 81' ' ' VAL . 0.9 OUTLIER -71.65 -36.29 70.66 Favored 'General case' 0 C--N 1.36 1.06 0 C-N-CA 126.489 1.916 . . . . 0.0 111.164 174.215 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.9 mmtt -63.33 -36.62 84.3 Favored 'General case' 0 C--N 1.378 1.831 0 N-CA-C 115.673 1.731 . . . . 0.0 115.673 169.176 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 91.6 t90 -81.09 -54.64 5.37 Favored 'General case' 0 C--N 1.364 1.239 0 C-N-CA 126.067 1.747 . . . . 0.0 114.121 178.139 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.423 HD22 ' CZ ' ' A' ' 69' ' ' PHE . 0.6 OUTLIER -65.45 -35.16 80.1 Favored 'General case' 0 C--N 1.364 1.196 0 C-N-CA 128.329 2.652 . . . . 0.0 116.31 -179.63 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -62.44 -26.92 68.67 Favored Glycine 0 C--N 1.363 2.062 0 C-N-CA 128.781 3.086 . . . . 0.0 114.325 169.66 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 -83.17 -19.71 36.06 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 126.417 1.887 . . . . 0.0 116.013 -176.669 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -87.7 -17.63 31.33 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 124.994 1.318 . . . . 0.0 113.345 -174.134 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 93.0 25.58 19.33 Favored Glycine 0 C--N 1.367 2.291 0 CA-C-O 122.262 0.923 . . . . 0.0 110.796 -177.683 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.698 HD22 HD11 ' A' ' 28' ' ' LEU . 0.3 OUTLIER -109.01 -35.82 6.24 Favored 'General case' 0 CA--C 1.481 -1.679 0 C-N-CA 124.197 0.999 . . . . 0.0 109.649 176.268 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 92' ' ' TYR . 34.8 m -131.34 153.11 49.96 Favored 'General case' 0 C--N 1.345 0.401 0 N-CA-C 116.405 2.002 . . . . 0.0 116.405 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.2 tptm -111.25 144.21 40.78 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 128.84 2.856 . . . . 0.0 105.795 172.223 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.544 HG22 HG22 ' A' ' 90' ' ' ILE . 0.1 OUTLIER -135.46 145.85 30.98 Favored 'Isoleucine or valine' 0 C--N 1.351 0.65 0 O-C-N 118.735 -2.478 . . . . 0.0 112.669 -173.399 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -145.16 153.09 41.01 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 125.3 1.44 . . . . 0.0 110.421 174.181 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -122.42 138.84 54.41 Favored 'General case' 0 C--N 1.367 1.358 0 O-C-N 120.044 -1.66 . . . . 0.0 109.815 177.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.438 ' HB ' ' CD ' ' A' ' 85' ' ' PRO . 30.6 p -124.99 175.6 2.92 Favored Pre-proline 0 CA--C 1.496 -1.108 0 C-N-CA 128.284 2.634 . . . . 0.0 110.032 -176.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.438 ' CD ' ' HB ' ' A' ' 84' ' ' THR . 28.1 Cg_exo -68.04 -4.25 12.18 Favored 'Trans proline' 0 N--CA 1.44 -1.619 0 N-CA-C 117.968 2.257 . . . . 0.0 117.968 165.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -117.73 18.73 14.06 Favored 'General case' 0 C--N 1.36 1.055 0 C-N-CA 126.069 1.748 . . . . 0.0 112.284 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 128.31 -161.01 22.13 Favored Glycine 0 C--N 1.365 2.164 0 N-CA-C 117.358 1.703 . . . . 0.0 117.358 177.468 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.61 ' CZ2' HG23 ' A' ' 67' ' ' THR . 12.1 m95 -109.74 115.92 30.74 Favored 'General case' 0 C--N 1.364 1.237 0 C-N-CA 127.838 2.455 . . . . 0.0 107.097 177.218 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -115.03 128.26 56.15 Favored 'General case' 0 CA--C 1.498 -1.053 0 C-N-CA 126.809 2.044 . . . . 0.0 106.217 -175.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.544 HG22 HG22 ' A' ' 81' ' ' VAL . 3.2 pt -114.75 140.53 35.35 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.998 0 C-N-CA 126.682 1.993 . . . . 0.0 107.376 178.555 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.52 117.52 30.59 Favored 'General case' 0 N--CA 1.437 -1.104 0 N-CA-C 100.98 -3.711 . . . . 0.0 100.98 170.54 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.428 ' HA ' ' HA ' ' A' ' 79' ' ' CYS 0.614 0.0 OUTLIER -77.23 149.67 35.46 Favored 'General case' 0 CA--C 1.554 1.112 0 O-C-N 119.701 -1.874 . . . . 0.0 112.278 -179.656 . . . . . . . . 4 4 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . 0.252 2.2 mm -85.73 123.16 39.24 Favored 'Isoleucine or valine' 0 C--N 1.351 0.648 0 C-N-CA 131.354 3.862 . . . . 0.0 107.02 -176.156 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.461 ' HB3' HG21 ' A' ' 37' ' ' THR 0.356 11.6 p-10 -74.36 34.37 0.09 Allowed 'General case' 0 C--N 1.363 1.163 0 N-CA-C 119.554 3.168 . . . . 0.0 119.554 -172.286 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.424 ' HD3' HD23 ' A' ' 78' ' ' LEU . 12.8 mmm180 23.16 -101.37 0.01 OUTLIER 'General case' 0 C--N 1.361 1.071 1 C-N-CA 133.845 4.858 . . . . 0.0 115.689 176.343 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -103.03 113.73 65.69 Favored Pre-proline 0 CA--C 1.512 -0.519 0 CA-C-O 116.248 -1.834 . . . . 0.0 106.123 159.026 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_exo -64.51 -29.82 61.67 Favored 'Trans proline' 0 C--N 1.359 1.101 0 C-N-CA 125.175 3.916 . . . . 0.0 114.791 -172.622 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -63.79 -23.6 67.43 Favored 'General case' 0 C--N 1.357 0.919 0 C-N-CA 126.136 1.774 . . . . 0.0 111.22 170.737 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -76.64 -40.15 50.08 Favored 'General case' 0 C--N 1.366 1.313 0 O-C-N 119.896 -1.752 . . . . 0.0 111.157 169.436 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 34.0 mm -66.46 -49.64 73.69 Favored 'Isoleucine or valine' 0 C--N 1.367 1.345 0 C-N-CA 131.403 3.881 . . . . 0.0 110.516 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 64.0 mmt-85 -72.62 -29.85 63.82 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 127.705 2.402 . . . . 0.0 113.45 177.569 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -78.65 -29.14 45.62 Favored 'General case' 0 C--N 1.377 1.79 0 O-C-N 120.047 -1.658 . . . . 0.0 111.294 174.522 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.401 ' HB3' ' HB3' ' A' ' 33' ' ' ARG . 44.6 mt-30 -62.86 -59.38 4.93 Favored 'General case' 0 C--N 1.36 1.022 0 C-N-CA 127.175 2.19 . . . . 0.0 112.243 169.704 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.419 HD22 ' O ' ' A' ' 33' ' ' ARG 0.29 0.1 OUTLIER -48.69 -58.22 5.09 Favored 'General case' 0 CA--C 1.536 0.414 1 C-N-CA 133.972 4.909 . . . . 0.0 116.621 173.014 . . . . . . . . 5 4 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 . . . . . 0 C--N 1.364 1.237 0 N-CA-C 118.916 2.932 . . . . 0.0 118.916 178.396 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.411 ' HE1' ' CZ2' ' A' ' 72' ' ' TRP . 1.6 tmt? . . . . . 0 CA--C 1.493 -1.24 0 CA-C-O 115.924 -1.989 . . . . 0.0 114.985 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.38 -22.07 61.19 Favored 'General case' 0 C--N 1.364 1.235 0 CA-C-N 123.628 2.922 . . . . 0.0 114.517 178.245 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -71.44 -54.01 12.07 Favored 'General case' 0 C--N 1.368 1.371 0 C-N-CA 124.805 1.242 . . . . 0.0 113.661 170.249 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -74.59 -37.68 62.84 Favored 'General case' 0 C--N 1.365 1.271 0 C-N-CA 126.673 1.989 . . . . 0.0 114.22 177.323 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . 0.467 1.5 m -72.61 -28.18 62.62 Favored 'General case' 0 CA--C 1.489 -1.381 0 C-N-CA 126.945 2.098 . . . . 0.0 114.648 177.404 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.434 ' O ' ' HB2' ' A' ' 25' ' ' ASN . 35.3 tt0 -68.93 -49.11 60.9 Favored 'General case' 0 C--N 1.37 1.463 0 CA-C-N 120.15 1.341 . . . . 0.0 110.471 170.043 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -66.7 -34.09 77.08 Favored 'General case' 0 C--N 1.368 1.409 0 C-N-CA 125.41 1.484 . . . . 0.0 114.984 176.239 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.408 ' CZ ' ' CE1' ' A' ' 46' ' ' TYR . 8.1 t80 -73.79 -53.44 10.27 Favored 'General case' 0 C--N 1.366 1.296 0 O-C-N 119.384 -2.072 . . . . 0.0 111.027 170.057 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.468 HH12 ' HD1' ' A' ' 27' ' ' PHE 0.406 0.1 OUTLIER -70.6 -36.55 73.58 Favored 'General case' 0 C--N 1.36 1.03 0 N-CA-C 118.327 2.714 . . . . 0.0 118.327 -176.564 . . . . . . . . 4 4 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 0.7 OUTLIER -66.04 -51.3 59.49 Favored 'General case' 0 C--N 1.366 1.309 0 O-C-N 119.843 -1.786 . . . . 0.0 114.811 177.35 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -73.5 -39.39 64.86 Favored 'General case' 0 C--N 1.35 0.605 0 C-N-CA 125.459 1.503 . . . . 0.0 112.164 175.659 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.468 ' HD1' HH12 ' A' ' 24' ' ' ARG . 25.6 t80 -67.99 -40.13 83.12 Favored 'General case' 0 C--N 1.375 1.682 0 CA-C-N 120.84 1.654 . . . . 0.0 113.248 175.681 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.569 HD11 HD22 ' A' ' 78' ' ' LEU 0.313 0.9 OUTLIER -65.26 -37.79 88.31 Favored 'General case' 0 C--N 1.38 1.924 0 CA-C-N 122.179 2.263 . . . . 0.0 112.703 172.749 . . . . . . . . 4 4 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -60.19 -51.69 68.51 Favored 'General case' 0 C--N 1.38 1.907 0 CA-C-N 120.73 1.605 . . . . 0.0 113.707 168.022 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.4 tp -56.91 -43.13 81.09 Favored 'General case' 0 C--N 1.363 1.188 0 C-N-CA 129.167 2.987 . . . . 0.0 114.561 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.415 HD11 ' HB2' ' A' ' 92' ' ' TYR . 3.8 tt -64.32 -53.05 54.91 Favored 'General case' 0 C--N 1.369 1.417 0 C-N-CA 130.956 3.703 . . . . 0.0 110.557 175.08 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 84.1 mtm180 -63.63 -46.26 86.5 Favored 'General case' 0 C--N 1.363 1.154 0 N-CA-C 116.69 2.108 . . . . 0.0 116.69 174.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . 0.266 6.6 ptt-85 -71.98 -54.32 10.32 Favored 'General case' 0 C--N 1.371 1.51 0 N-CA-C 117.319 2.34 . . . . 0.0 117.319 172.355 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -83.05 -24.01 32.94 Favored 'General case' 0 C--N 1.355 0.808 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 -167.081 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -120.23 -35.33 3.47 Favored 'General case' 0 C--N 1.36 1.04 0 C-N-CA 124.648 1.179 . . . . 0.0 111.764 -175.549 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 75.66 -115.7 4.64 Favored Glycine 0 C--N 1.383 3.148 0 O-C-N 119.506 -1.996 . . . . 0.0 111.257 -168.327 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.0 p -124.18 107.84 11.66 Favored 'General case' 0 N--CA 1.437 -1.124 0 N-CA-C 102.544 -3.132 . . . . 0.0 102.544 172.6 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.0 ttmt -147.34 141.52 26.13 Favored 'General case' 0 CA--C 1.508 -0.659 0 C-N-CA 124.701 1.201 . . . . 0.0 108.925 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.53 108.29 4.25 Favored 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 126.234 1.814 . . . . 0.0 109.769 173.452 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.4 p -151.91 154.94 7.4 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.276 0 O-C-N 118.898 -2.376 . . . . 0.0 107.805 -170.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.425 ' HE1' ' HG ' ' A' ' 66' ' ' LEU 0.256 3.9 t-80 -79.83 125.48 29.75 Favored 'General case' 0 C--N 1.375 1.695 0 CA-C-O 124.408 2.051 . . . . 0.0 107.673 174.587 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -57.28 -22.55 42.37 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 112.756 -2.02 . . . . 0.0 113.763 177.056 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -75.14 -28.04 59.99 Favored 'General case' 0 C--N 1.368 1.389 0 O-C-N 120.441 -1.412 . . . . 0.0 111.862 176.003 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 66.3 mt -69.05 -46.3 78.71 Favored 'Isoleucine or valine' 0 C--N 1.367 1.339 0 C-N-CA 127.549 2.34 . . . . 0.0 109.07 173.34 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.1 m -68.83 -32.64 55.57 Favored 'Isoleucine or valine' 0 C--N 1.361 1.101 0 C-N-CA 127.215 2.206 . . . . 0.0 112.658 176.21 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.408 ' CE1' ' CZ ' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -62.79 -51.8 65.67 Favored 'General case' 0 C--N 1.383 2.032 0 C-N-CA 127.284 2.234 . . . . 0.0 110.457 177.315 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -60.78 -30.32 69.97 Favored 'General case' 0 C--N 1.363 1.183 0 C-N-CA 129.562 3.145 . . . . 0.0 114.463 176.158 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -74.78 -43.82 52.82 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.35 1.46 . . . . 0.0 112.749 173.511 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -66.86 -52.4 43.97 Favored 'General case' 0 C--N 1.362 1.123 0 C-N-CA 130.157 3.383 . . . . 0.0 112.512 177.361 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.411 ' HB ' ' HA ' ' A' ' 55' ' ' HIS . 9.2 pt -73.05 -10.03 13.56 Favored 'Isoleucine or valine' 0 C--N 1.359 1.019 0 N-CA-C 116.529 2.048 . . . . 0.0 116.529 -177.769 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.3 m -84.86 51.79 2.25 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 127.16 2.184 . . . . 0.0 109.641 174.074 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 30.1 m-70 -150.54 -150.74 0.36 Allowed 'General case' 0 C--N 1.349 0.562 0 N-CA-C 101.55 -3.5 . . . . 0.0 101.55 -175.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.81 -39.98 69.48 Favored 'General case' 0 C--N 1.367 1.335 0 O-C-N 118.729 -2.482 . . . . 0.0 115.533 177.402 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -61.61 12.23 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.562 1 C-N-CA 133.783 4.833 . . . . 0.0 121.201 -173.253 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.411 ' HA ' ' HB ' ' A' ' 50' ' ' ILE 0.492 0.3 OUTLIER -41.9 68.13 0.0 OUTLIER 'General case' 0 C--N 1.369 1.454 1 N-CA-C 122.623 4.305 . . . . 0.0 122.623 -172.165 . . . . . . . . 5 4 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.418 HG21 HD13 ' A' ' 56' ' ' ILE . 25.4 mt -87.89 175.21 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.791 1 C-N-CA 134.2 5.0 . . . . 0.0 110.425 177.429 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -133.97 156.51 48.03 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 127.596 2.358 . . . . 0.0 105.231 167.698 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -25.22 64.83 Favored 'General case' 0 C--N 1.361 1.074 0 C-N-CA 128.746 2.818 . . . . 0.0 115.446 177.001 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . 0.252 4.5 m120 -86.16 1.68 49.72 Favored 'General case' 0 CA--C 1.566 1.583 0 C-N-CA 127.236 2.214 . . . . 0.0 112.822 -179.542 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -85.05 10.66 11.37 Favored 'General case' 0 C--N 1.389 2.305 0 C-N-CA 128.923 2.889 . . . . 0.0 112.809 169.398 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 10.4 p -115.66 175.3 5.59 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 127.879 2.471 . . . . 0.0 110.796 -176.246 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -85.08 2.41 43.51 Favored 'General case' 0 C--N 1.373 1.597 0 C-N-CA 126.951 2.1 . . . . 0.0 112.791 174.707 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.46 ' CD2' ' HB2' ' A' ' 69' ' ' PHE . 2.5 m-90 -99.73 107.38 19.45 Favored 'General case' 0 N--CA 1.438 -1.074 0 C-N-CA 130.09 3.356 . . . . 0.0 106.827 -178.283 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -65.05 -24.51 67.49 Favored 'General case' 0 C--N 1.367 1.368 0 C-N-CA 128.919 2.888 . . . . 0.0 115.299 -174.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.3 t -151.02 172.32 15.91 Favored 'General case' 0 N--CA 1.441 -0.896 0 N-CA-C 101.433 -3.543 . . . . 0.0 101.433 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.425 ' HG ' ' HE1' ' A' ' 41' ' ' HIS . 6.0 tp -62.1 -26.14 68.12 Favored 'General case' 0 C--N 1.366 1.305 0 C-N-CA 127.726 2.411 . . . . 0.0 112.298 179.031 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.658 HG23 ' CZ2' ' A' ' 88' ' ' TRP . 5.9 m -56.7 -49.45 75.08 Favored 'General case' 0 C--N 1.361 1.066 0 C-N-CA 128.062 2.545 . . . . 0.0 115.888 -179.468 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.363 86.8 m-20 -73.02 -25.72 61.06 Favored 'General case' 0 C--N 1.355 0.832 0 N-CA-C 117.13 2.27 . . . . 0.0 117.13 177.646 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.46 ' HB2' ' CD2' ' A' ' 63' ' ' TRP . 3.4 t80 -73.45 -38.94 65.31 Favored 'General case' 0 C--N 1.35 0.604 0 C-N-CA 127.09 2.156 . . . . 0.0 110.612 172.111 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.777 HG21 ' CE3' ' A' ' 88' ' ' TRP . 0.5 OUTLIER -69.87 -34.39 73.51 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 129.167 2.987 . . . . 0.0 110.557 175.583 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 45.1 mmtt -63.29 -46.51 86.44 Favored 'General case' 0 C--N 1.383 2.026 0 C-N-CA 124.519 1.128 . . . . 0.0 113.054 169.091 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.411 ' CZ2' ' HE1' ' A' ' 16' ' ' MET . 79.1 t90 -69.9 -53.87 16.0 Favored 'General case' 0 C--N 1.375 1.697 0 C-N-CA 126.682 1.993 . . . . 0.0 114.645 177.788 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.0 -35.96 82.87 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 129.269 3.027 . . . . 0.0 115.077 -179.564 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -63.84 -27.4 71.13 Favored Glycine 0 C--N 1.363 2.069 0 C-N-CA 128.562 2.982 . . . . 0.0 113.92 168.465 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 28.2 ttt-85 -79.09 -21.58 46.5 Favored 'General case' 0 C--N 1.36 1.053 0 N-CA-C 114.371 1.248 . . . . 0.0 114.371 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -85.14 -20.19 30.65 Favored 'General case' 0 C--N 1.357 0.904 0 N-CA-C 115.122 1.527 . . . . 0.0 115.122 -171.154 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 96.39 19.21 28.51 Favored Glycine 0 C--N 1.363 2.063 0 N-CA-C 111.288 -0.725 . . . . 0.0 111.288 -177.158 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.569 HD22 HD11 ' A' ' 28' ' ' LEU . 1.9 mt -100.49 -42.21 6.67 Favored 'General case' 0 CA--C 1.476 -1.869 0 C-N-CA 124.627 1.171 . . . . 0.0 110.716 179.185 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 4.9 m -132.84 153.16 51.56 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-O 122.756 1.265 . . . . 0.0 114.354 -176.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.404 ' HD3' HD11 ' A' ' 93' ' ' ILE . 0.1 OUTLIER -107.74 143.16 36.66 Favored 'General case' 0 C--O 1.218 -0.588 0 C-N-CA 128.277 2.631 . . . . 0.0 106.921 175.611 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -132.08 143.85 38.87 Favored 'Isoleucine or valine' 0 C--N 1.349 0.547 0 O-C-N 118.359 -2.713 . . . . 0.0 113.743 -171.457 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -140.97 154.56 46.1 Favored 'General case' 0 C--N 1.367 1.351 0 C-N-CA 127.088 2.155 . . . . 0.0 110.555 177.209 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -128.18 139.56 52.41 Favored 'General case' 0 C--N 1.373 1.598 0 O-C-N 120.581 -1.324 . . . . 0.0 111.372 175.363 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.41 ' HB ' ' CD ' ' A' ' 85' ' ' PRO . 62.3 p -122.92 174.77 3.14 Favored Pre-proline 0 C--N 1.359 1.018 0 C-N-CA 130.394 3.478 . . . . 0.0 110.331 -177.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.41 ' CD ' ' HB ' ' A' ' 84' ' ' THR . 21.9 Cg_exo -68.58 -1.57 7.73 Favored 'Trans proline' 0 N--CA 1.444 -1.414 0 N-CA-C 118.118 2.315 . . . . 0.0 118.118 165.527 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -113.99 -3.62 13.32 Favored 'General case' 0 C--N 1.36 1.031 0 CA-C-N 120.363 1.438 . . . . 0.0 112.007 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 141.01 -167.83 25.53 Favored Glycine 0 C--N 1.364 2.088 0 O-C-N 120.637 -1.289 . . . . 0.0 114.637 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.777 ' CE3' HG21 ' A' ' 70' ' ' THR . 68.4 m95 -94.06 126.12 39.1 Favored 'General case' 0 C--N 1.367 1.366 0 C-N-CA 126.725 2.01 . . . . 0.0 109.905 175.447 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -114.16 126.17 54.77 Favored 'General case' 0 CA--C 1.497 -1.064 0 N-CA-C 103.276 -2.861 . . . . 0.0 103.276 -179.564 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.7 pt -114.41 137.23 48.44 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.116 0 N-CA-C 104.933 -2.247 . . . . 0.0 104.933 178.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -116.04 122.8 46.27 Favored 'General case' 0 CA--C 1.484 -1.563 0 N-CA-C 103.166 -2.902 . . . . 0.0 103.166 169.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.415 ' HB2' HD11 ' A' ' 31' ' ' LEU 0.389 5.8 t80 -73.49 147.04 44.45 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.398 1.479 . . . . 0.0 111.22 178.776 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.404 HD11 ' HD3' ' A' ' 80' ' ' LYS . 2.8 mt -89.49 120.44 38.23 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.897 1 C-N-CA 133.344 4.658 . . . . 0.0 105.554 -179.852 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . 0.345 13.6 p30 -79.89 91.33 5.38 Favored 'General case' 0 C--N 1.366 1.293 0 CA-C-N 121.009 1.731 . . . . 0.0 111.641 179.519 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.534 ' HD2' HD23 ' A' ' 78' ' ' LEU . 1.4 mmp_? -40.12 -85.82 0.0 OUTLIER 'General case' 0 C--N 1.356 0.854 1 C-N-CA 132.672 4.389 . . . . 0.0 114.517 176.706 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -102.75 103.92 35.8 Favored Pre-proline 0 CA--C 1.536 0.439 0 CA-C-O 113.523 -3.132 . . . . 0.0 105.656 160.009 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -56.12 -25.08 53.0 Favored 'Trans proline' 0 C--N 1.371 1.711 2 C-N-CA 127.121 5.214 . . . . 0.0 117.02 -177.352 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -61.21 -35.27 76.75 Favored 'General case' 0 C--N 1.368 1.385 0 C-N-CA 127.644 2.378 . . . . 0.0 110.008 167.718 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.49 HG22 HD12 ' A' ' 100' ' ' ILE 0.268 0.4 OUTLIER -67.76 -41.79 82.78 Favored 'General case' 0 C--N 1.367 1.35 0 O-C-N 119.477 -2.014 . . . . 0.0 112.303 170.914 . . . . . . . . 4 4 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.49 HD12 HG22 ' A' ' 99' ' ' THR . 1.8 mp -65.85 -50.05 72.98 Favored 'Isoleucine or valine' 0 C--N 1.37 1.465 0 CA-C-N 121.805 2.093 . . . . 0.0 111.677 174.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 75.0 mtp180 -69.07 -27.79 65.94 Favored 'General case' 0 C--N 1.365 1.258 0 O-C-N 120.029 -1.67 . . . . 0.0 114.225 177.445 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 55.8 mtm180 -77.87 -38.18 46.54 Favored 'General case' 0 C--N 1.371 1.537 0 C-N-CA 124.668 1.187 . . . . 0.0 110.57 171.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . 0.357 35.7 mt-30 -61.62 -34.42 75.62 Favored 'General case' 0 C--N 1.375 1.698 0 C-N-CA 125.907 1.683 . . . . 0.0 115.037 175.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.55 -57.41 3.36 Favored 'General case' 0 C--N 1.357 0.915 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 173.493 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 . . . . . 0 C--N 1.365 1.273 0 N-CA-C 119.898 3.295 . . . . 0.0 119.898 -169.348 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.472 0.635 0 N-CA-C 115.481 1.66 . . . . 0.0 115.481 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -57.02 -54.69 43.89 Favored 'General case' 0 C--N 1.363 1.185 0 C-N-CA 126.166 1.786 . . . . 0.0 114.043 176.725 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -70.33 -51.82 27.25 Favored 'General case' 0 C--N 1.36 1.032 0 C-N-CA 124.833 1.253 . . . . 0.0 114.346 172.281 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.266 20.4 m-85 -73.15 -36.13 66.59 Favored 'General case' 0 C--N 1.367 1.36 0 N-CA-C 115.433 1.642 . . . . 0.0 115.433 -175.612 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . 0.277 60.4 p -71.94 -31.8 66.7 Favored 'General case' 0 C--N 1.37 1.465 0 O-C-N 119.693 -1.879 . . . . 0.0 113.489 173.853 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -70.55 -48.78 53.74 Favored 'General case' 0 C--N 1.369 1.415 0 C-N-CA 124.916 1.287 . . . . 0.0 112.891 170.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -63.72 -44.79 92.55 Favored 'General case' 0 C--N 1.373 1.627 0 C-N-CA 125.375 1.47 . . . . 0.0 114.057 176.361 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.435 ' CE1' ' CE2' ' A' ' 46' ' ' TYR . 9.0 t80 -65.33 -52.5 53.52 Favored 'General case' 0 C--N 1.377 1.765 0 C-N-CA 126.305 1.842 . . . . 0.0 111.441 173.274 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 55.7 ttp85 -68.13 -28.51 67.38 Favored 'General case' 0 C--N 1.365 1.254 0 CA-C-N 121.703 2.047 . . . . 0.0 115.462 178.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -70.64 -51.62 26.74 Favored 'General case' 0 C--N 1.367 1.341 0 O-C-N 120.126 -1.609 . . . . 0.0 113.485 173.362 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -76.22 -31.92 58.65 Favored 'General case' 0 C--N 1.368 1.394 0 CA-C-N 119.943 1.247 . . . . 0.0 113.137 178.572 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -71.55 -39.66 70.53 Favored 'General case' 0 C--N 1.361 1.099 0 C-N-CA 125.709 1.604 . . . . 0.0 112.452 175.232 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.63 -46.21 73.16 Favored 'General case' 0 C--N 1.387 2.198 0 CA-C-N 121.721 2.055 . . . . 0.0 109.454 178.006 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -54.78 -50.86 67.45 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 128.11 2.564 . . . . 0.0 115.313 174.236 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . 0.456 0.0 OUTLIER -75.18 -34.24 61.53 Favored 'General case' 0 C--N 1.374 1.634 0 C-N-CA 126.236 1.815 . . . . 0.0 115.473 175.533 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.6 -53.21 60.26 Favored 'General case' 0 C--N 1.376 1.746 0 C-N-CA 129.61 3.164 . . . . 0.0 110.701 170.301 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 71.9 mtm180 -62.56 -39.45 93.69 Favored 'General case' 0 C--N 1.358 0.952 0 C-N-CA 128.046 2.539 . . . . 0.0 116.696 174.684 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . 0.292 9.8 ptt-85 -72.26 -53.44 12.5 Favored 'General case' 0 C--N 1.375 1.692 0 CA-C-N 123.161 2.71 . . . . 0.0 117.833 164.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.4 mmt85 -82.3 -30.56 30.48 Favored 'General case' 0 C--N 1.356 0.869 0 O-C-N 120.774 -1.204 . . . . 0.0 114.126 -165.472 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -113.82 -32.99 5.93 Favored 'General case' 0 C--N 1.357 0.893 0 C-N-CA 125.989 1.716 . . . . 0.0 110.461 -176.147 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.417 ' HA2' HG23 ' A' ' 100' ' ' ILE . . . 77.99 -112.54 3.51 Favored Glycine 0 C--N 1.386 3.349 0 O-C-N 119.443 -2.036 . . . . 0.0 111.347 -169.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.485 HG22 ' CD1' ' A' ' 92' ' ' TYR . 5.0 p -127.28 107.95 10.44 Favored 'General case' 0 N--CA 1.437 -1.095 1 N-CA-C 99.856 -4.128 . . . . 0.0 99.856 168.916 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.3 ttmt -147.67 148.2 30.79 Favored 'General case' 0 CA--C 1.497 -1.059 0 C-N-CA 125.104 1.362 . . . . 0.0 107.745 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.31 108.35 4.73 Favored 'General case' 0 C--N 1.363 1.174 0 O-C-N 120.437 -1.415 . . . . 0.0 109.342 170.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.3 p -137.89 155.6 30.42 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.613 0 N-CA-C 103.866 -2.642 . . . . 0.0 103.866 -174.544 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.419 ' CD2' ' O ' ' A' ' 88' ' ' TRP . 63.8 t-80 -86.14 121.31 28.56 Favored 'General case' 0 C--N 1.353 0.748 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 175.419 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.439 ' HB3' HD21 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -55.96 -28.11 55.58 Favored 'General case' 0 C--N 1.361 1.082 0 N-CA-C 116.178 1.918 . . . . 0.0 116.178 -173.69 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.385 0.1 OUTLIER -72.47 -27.67 62.44 Favored 'General case' 0 C--N 1.366 1.284 0 O-C-N 120.591 -1.318 . . . . 0.0 112.537 171.946 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.9 mt -65.92 -42.98 93.03 Favored 'Isoleucine or valine' 0 C--N 1.366 1.321 0 C-N-CA 127.011 2.124 . . . . 0.0 111.255 170.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . 0.531 0.9 OUTLIER -74.46 -29.48 24.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 124.543 1.137 . . . . 0.0 112.906 175.835 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.435 ' CE2' ' CE1' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -65.06 -54.42 30.46 Favored 'General case' 0 C--N 1.382 1.992 0 C-N-CA 127.18 2.192 . . . . 0.0 107.412 169.206 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.444 ' HA ' HG12 ' A' ' 50' ' ' ILE . 14.0 m120 -59.1 -27.55 65.68 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 117.635 2.457 . . . . 0.0 117.635 175.317 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -71.77 -40.25 69.4 Favored 'General case' 0 C--N 1.364 1.228 0 C-N-CA 126.27 1.828 . . . . 0.0 112.33 171.512 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . 0.328 0.2 OUTLIER -69.89 -37.97 76.18 Favored 'General case' 0 CA--C 1.55 0.977 1 C-N-CA 131.776 4.03 . . . . 0.0 113.834 172.481 . . . . . . . . 4 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.585 HG23 ' CD2' ' A' ' 55' ' ' HIS . 0.1 OUTLIER -58.75 -39.11 75.81 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.524 1 C-N-CA 131.788 4.035 . . . . 0.0 114.986 -173.007 . . . . . . . . 4 4 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 33.9 m -91.2 73.01 6.26 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 121.474 0.654 . . . . 0.0 112.52 175.359 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 40.8 m-70 -159.65 -158.78 0.68 Allowed 'General case' 0 C--N 1.361 1.076 0 C-N-CA 126.819 2.047 . . . . 0.0 107.012 -178.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.17 -24.83 60.6 Favored 'General case' 0 C--N 1.371 1.533 0 C-N-CA 128.082 2.553 . . . . 0.0 116.496 178.05 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -92.16 11.27 26.11 Favored 'General case' 0 N--CA 1.439 -0.996 1 C-N-CA 133.939 4.895 . . . . 0.0 117.839 -168.474 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.585 ' CD2' HG23 ' A' ' 50' ' ' ILE 0.273 10.8 t-80 -52.17 85.27 0.0 OUTLIER 'General case' 0 C--N 1.364 1.226 0 N-CA-C 119.176 3.028 . . . . 0.0 119.176 -175.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.451 HG23 ' HB3' ' A' ' 60' ' ' ALA . 83.1 mt -114.36 130.66 68.27 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.222 1 C-N-CA 131.714 4.006 . . . . 0.0 103.502 176.269 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.512 ' CE1' HG13 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -110.68 165.87 11.48 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 103.135 -2.913 . . . . 0.0 103.135 169.624 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 42.3 tpp -51.37 -16.21 0.52 Allowed 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 129.612 3.165 . . . . 0.0 117.564 -175.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . 0.271 10.6 m-80 -78.4 -21.85 48.69 Favored 'General case' 0 N--CA 1.415 -2.216 1 C-N-CA 133.672 4.789 . . . . 0.0 112.98 -175.93 . . . . . . . . 3 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.451 ' HB3' HG23 ' A' ' 56' ' ' ILE . . . -92.19 31.29 1.3 Allowed 'General case' 0 C--N 1.37 1.476 0 C-N-CA 128.301 2.64 . . . . 0.0 116.089 179.551 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.405 HG21 ' CZ3' ' A' ' 63' ' ' TRP 0.354 3.5 t -160.9 -174.8 4.58 Favored 'General case' 0 C--N 1.362 1.118 0 O-C-N 120.667 -1.271 . . . . 0.0 112.42 -170.688 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -93.57 7.07 46.1 Favored 'General case' 0 C--N 1.369 1.434 0 C-N-CA 131.198 3.799 . . . . 0.0 114.711 -172.582 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.405 ' CZ3' HG21 ' A' ' 61' ' ' THR . 0.9 OUTLIER -109.17 152.65 24.85 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 128.604 2.761 . . . . 0.0 105.099 177.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -117.98 -56.73 2.16 Favored 'General case' 0 C--N 1.358 0.941 0 CA-C-N 120.697 1.59 . . . . 0.0 114.284 -175.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 70.1 p -87.6 -64.84 1.09 Allowed 'General case' 0 C--N 1.356 0.852 0 C-N-CA 126.067 1.747 . . . . 0.0 114.112 -171.705 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.439 HD21 ' HB3' ' A' ' 42' ' ' ASN 0.25 1.9 tp 173.97 -34.91 0.0 OUTLIER 'General case' 0 CA--C 1.506 -0.728 0 C-N-CA 130.441 3.496 . . . . 0.0 102.37 174.948 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.645 HG23 ' CZ2' ' A' ' 88' ' ' TRP . 13.5 m -56.42 -44.4 80.32 Favored 'General case' 0 CA--C 1.484 -1.566 1 C-N-CA 133.07 4.548 . . . . 0.0 113.501 -173.783 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.4 -28.89 63.27 Favored 'General case' 0 C--N 1.344 0.352 0 N-CA-C 116.436 2.013 . . . . 0.0 116.436 175.322 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -76.18 -32.85 59.23 Favored 'General case' 0 C--N 1.364 1.236 0 C-N-CA 125.595 1.558 . . . . 0.0 109.961 171.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.485 ' HB ' HG21 ' A' ' 81' ' ' VAL 0.309 0.6 OUTLIER -72.23 -36.21 69.07 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 126.398 1.879 . . . . 0.0 111.066 174.867 . . . . . . . . 4 4 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 25.1 mmtt -62.27 -39.09 91.76 Favored 'General case' 0 C--N 1.377 1.798 0 N-CA-C 115.45 1.648 . . . . 0.0 115.45 166.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 91.5 t90 -80.57 -55.0 5.16 Favored 'General case' 0 C--N 1.362 1.142 0 C-N-CA 126.02 1.728 . . . . 0.0 113.89 -179.584 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.62 -35.28 80.35 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 128.403 2.681 . . . . 0.0 116.221 177.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -62.04 -27.21 68.46 Favored Glycine 0 C--N 1.359 1.844 0 C-N-CA 128.067 2.746 . . . . 0.0 114.795 166.305 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 31.2 ttp180 -73.99 -27.63 61.07 Favored 'General case' 0 C--N 1.361 1.097 0 N-CA-C 114.948 1.462 . . . . 0.0 114.948 179.369 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -82.79 -20.71 35.26 Favored 'General case' 0 C--N 1.356 0.85 0 N-CA-C 116.915 2.191 . . . . 0.0 116.915 -169.716 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.59 20.86 15.9 Favored Glycine 0 C--N 1.363 2.037 0 O-C-N 121.185 -0.947 . . . . 0.0 111.36 -177.255 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.92 -43.1 4.95 Favored 'General case' 0 CA--C 1.468 -2.182 0 C-N-CA 123.868 0.867 . . . . 0.0 110.55 177.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 92' ' ' TYR . 13.1 m -128.53 147.37 50.69 Favored 'General case' 0 C--O 1.224 -0.271 0 N-CA-C 116.296 1.961 . . . . 0.0 116.296 -176.39 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -103.18 143.39 32.69 Favored 'General case' 0 C--N 1.359 0.98 0 C-N-CA 127.641 2.376 . . . . 0.0 107.754 172.674 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.485 HG21 ' HB ' ' A' ' 70' ' ' THR . 0.2 OUTLIER -131.28 142.16 44.1 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 O-C-N 119.084 -2.26 . . . . 0.0 112.943 -172.36 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -143.26 151.35 40.46 Favored 'General case' 0 C--N 1.364 1.206 0 C-N-CA 124.958 1.303 . . . . 0.0 110.132 174.234 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -122.96 139.49 54.01 Favored 'General case' 0 C--N 1.367 1.361 0 O-C-N 120.135 -1.603 . . . . 0.0 110.529 178.048 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.428 ' HB ' ' CD ' ' A' ' 85' ' ' PRO . 43.5 p -123.26 174.96 3.04 Favored Pre-proline 0 C--N 1.359 1.006 0 C-N-CA 129.262 3.025 . . . . 0.0 109.907 -177.391 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.428 ' CD ' ' HB ' ' A' ' 84' ' ' THR . 22.6 Cg_exo -68.94 -1.62 8.12 Favored 'Trans proline' 0 N--CA 1.442 -1.537 0 N-CA-C 118.176 2.337 . . . . 0.0 118.176 166.075 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 29.4 ttpt -112.78 -5.9 13.87 Favored 'General case' 0 C--N 1.361 1.092 0 CA-C-N 120.189 1.359 . . . . 0.0 112.464 -179.249 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 149.74 -164.35 29.49 Favored Glycine 0 C--N 1.362 2.012 0 O-C-N 120.635 -1.291 . . . . 0.0 115.126 -178.556 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.645 ' CZ2' HG23 ' A' ' 67' ' ' THR . 15.2 m95 -101.87 119.4 38.72 Favored 'General case' 0 C--N 1.364 1.236 0 C-N-CA 127.949 2.5 . . . . 0.0 107.52 175.409 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -114.54 125.8 54.2 Favored 'General case' 0 CA--C 1.501 -0.927 0 N-CA-C 105.471 -2.048 . . . . 0.0 105.471 -178.048 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -116.2 137.56 49.56 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.935 0 C-N-CA 127.178 2.191 . . . . 0.0 105.907 178.796 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -122.42 124.98 44.89 Favored 'General case' 0 N--CA 1.429 -1.522 0 N-CA-C 103.054 -2.943 . . . . 0.0 103.054 172.02 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.485 ' CD1' HG22 ' A' ' 37' ' ' THR 0.511 0.4 OUTLIER -74.23 147.24 42.65 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 125.667 1.587 . . . . 0.0 112.701 -179.781 . . . . . . . . 4 4 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 5.4 mt -86.81 119.99 35.58 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.95 1 C-N-CA 133.683 4.793 . . . . 0.0 105.458 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . 0.284 14.0 p30 -76.68 84.88 3.32 Favored 'General case' 0 C--N 1.36 1.036 0 O-C-N 119.872 -1.767 . . . . 0.0 113.85 -178.546 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 -37.82 -86.47 0.0 OUTLIER 'General case' 0 C--N 1.367 1.333 0 C-N-CA 131.526 3.93 . . . . 0.0 115.251 177.609 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -103.03 106.78 52.56 Favored Pre-proline 0 CA--C 1.533 0.302 0 CA-C-O 112.9 -3.428 . . . . 0.0 105.907 158.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -53.86 -25.92 37.33 Favored 'Trans proline' 0 C--N 1.374 1.905 2 C-N-CA 127.563 5.509 . . . . 0.0 116.838 -178.124 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -54.67 -43.69 72.64 Favored 'General case' 0 C--N 1.362 1.147 0 C-N-CA 129.223 3.009 . . . . 0.0 110.598 166.244 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -57.99 -44.52 87.22 Favored 'General case' 0 C--N 1.37 1.459 0 O-C-N 119.726 -1.859 . . . . 0.0 113.74 175.16 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.417 HG23 ' HA2' ' A' ' 36' ' ' GLY . 2.7 mp -68.37 -50.13 59.89 Favored 'Isoleucine or valine' 0 C--N 1.361 1.071 0 C-N-CA 128.981 2.912 . . . . 0.0 111.96 174.404 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -63.87 -35.97 82.41 Favored 'General case' 0 C--N 1.367 1.339 0 O-C-N 120.01 -1.681 . . . . 0.0 113.656 176.549 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 11.6 mmp_? -73.15 -40.02 65.22 Favored 'General case' 0 C--N 1.367 1.342 0 C-N-CA 125.122 1.369 . . . . 0.0 110.355 170.203 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . 0.389 28.1 mt-30 -62.28 -35.78 80.06 Favored 'General case' 0 C--N 1.372 1.572 0 N-CA-C 116.228 1.936 . . . . 0.0 116.228 174.243 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 100' ' ' ILE . 0.2 OUTLIER -81.61 -53.01 6.6 Favored 'General case' 0 C--N 1.356 0.85 0 O-C-N 120.511 -1.368 . . . . 0.0 112.241 175.606 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 . . . . . 0 C--N 1.36 1.062 0 N-CA-C 117.819 2.526 . . . . 0.0 117.819 -172.435 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 12.4 tpt . . . . . 0 N--CA 1.48 1.032 0 N-CA-C 116.503 2.038 . . . . 0.0 116.503 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -58.93 -36.07 74.15 Favored 'General case' 0 C--N 1.362 1.144 0 C-N-CA 126.875 2.07 . . . . 0.0 115.01 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -70.07 -52.08 26.77 Favored 'General case' 0 C--N 1.36 1.058 0 C-N-CA 126.563 1.945 . . . . 0.0 113.644 175.384 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -73.83 -40.52 63.28 Favored 'General case' 0 C--N 1.355 0.847 0 C-N-CA 127.978 2.511 . . . . 0.0 114.112 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . 0.352 79.5 p -72.55 -30.78 64.72 Favored 'General case' 0 C--N 1.37 1.492 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 177.815 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -70.46 -41.93 72.14 Favored 'General case' 0 C--N 1.366 1.302 0 CA-C-N 120.67 1.577 . . . . 0.0 113.752 170.661 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -67.9 -45.84 73.3 Favored 'General case' 0 C--N 1.365 1.275 0 CA-C-N 121.482 1.947 . . . . 0.0 113.394 174.413 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.462 ' CZ ' ' CE2' ' A' ' 46' ' ' TYR . 14.0 t80 -63.91 -52.1 61.45 Favored 'General case' 0 C--N 1.371 1.519 0 C-N-CA 124.814 1.246 . . . . 0.0 112.349 173.63 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.557 ' HE ' HD23 ' A' ' 28' ' ' LEU 0.344 0.0 OUTLIER -69.89 -28.97 66.07 Favored 'General case' 0 C--N 1.363 1.153 0 CA-C-N 121.094 1.77 . . . . 0.0 115.6 175.973 . . . . . . . . 4 4 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -67.3 -52.41 40.92 Favored 'General case' 0 C--N 1.375 1.694 0 O-C-N 119.011 -2.306 . . . . 0.0 112.579 171.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -76.23 -50.92 13.18 Favored 'General case' 0 C--N 1.36 1.033 0 N-CA-C 115.567 1.691 . . . . 0.0 115.567 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.41 ' HB3' ' O ' ' A' ' 23' ' ' PHE . 12.4 t80 -62.15 -46.07 90.6 Favored 'General case' 0 C--N 1.369 1.45 0 C-N-CA 126.839 2.055 . . . . 0.0 112.878 176.189 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.557 HD23 ' HE ' ' A' ' 24' ' ' ARG 0.346 0.0 OUTLIER -67.85 -32.73 73.46 Favored 'General case' 0 C--N 1.371 1.53 0 CA-C-N 119.457 1.026 . . . . 0.0 112.4 -179.977 . . . . . . . . 4 4 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -65.55 -48.63 71.79 Favored 'General case' 0 C--N 1.385 2.118 0 C-N-CA 125.535 1.534 . . . . 0.0 115.072 168.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 tt -65.34 -34.78 79.14 Favored 'General case' 0 C--N 1.358 0.937 0 C-N-CA 128.918 2.887 . . . . 0.0 113.319 178.726 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 tt -64.14 -51.91 61.61 Favored 'General case' 0 C--N 1.365 1.252 0 C-N-CA 130.219 3.408 . . . . 0.0 109.41 169.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 33.7 mtm180 -59.31 -46.11 89.46 Favored 'General case' 0 C--N 1.369 1.443 0 C-N-CA 127.09 2.156 . . . . 0.0 116.493 173.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . 0.415 0.8 OUTLIER -73.1 -53.2 11.65 Favored 'General case' 0 C--N 1.365 1.279 0 N-CA-C 121.781 3.993 . . . . 0.0 121.781 169.531 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.4 mtt180 -82.91 -35.07 26.42 Favored 'General case' 0 C--N 1.349 0.563 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 -171.339 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -107.51 -37.47 6.19 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 125.548 1.539 . . . . 0.0 110.69 -176.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 78.05 -104.35 2.0 Favored Glycine 0 C--N 1.38 3.008 0 CA-C-O 124.293 2.051 . . . . 0.0 110.618 -169.463 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.7 p -134.85 108.15 7.77 Favored 'General case' 0 N--CA 1.437 -1.09 0 N-CA-C 103.485 -2.783 . . . . 0.0 103.485 171.239 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -147.42 152.11 37.58 Favored 'General case' 0 CA--C 1.51 -0.591 0 C-N-CA 125.525 1.53 . . . . 0.0 107.815 178.522 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.12 108.37 11.37 Favored 'General case' 0 C--N 1.363 1.175 0 C-N-CA 125.445 1.498 . . . . 0.0 110.298 172.816 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.7 p -149.26 152.61 11.82 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.246 0 N-CA-C 105.32 -2.104 . . . . 0.0 105.32 -173.617 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.446 ' HE1' ' HG ' ' A' ' 66' ' ' LEU . 0.8 OUTLIER -84.0 138.0 33.33 Favored 'General case' 0 C--N 1.367 1.361 0 CA-C-O 123.308 1.528 . . . . 0.0 109.02 177.901 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.627 ' HB2' HD21 ' A' ' 66' ' ' LEU . 0.9 OUTLIER -57.21 -29.49 63.77 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 115.447 1.647 . . . . 0.0 115.447 -179.389 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -67.24 -27.76 67.49 Favored 'General case' 0 C--N 1.367 1.351 0 C-N-CA 128.352 2.661 . . . . 0.0 111.953 176.705 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.8 mt -75.88 -41.76 39.48 Favored 'Isoleucine or valine' 0 C--N 1.366 1.313 0 C-N-CA 125.967 1.707 . . . . 0.0 110.189 170.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.4 m -73.17 -38.64 55.19 Favored 'Isoleucine or valine' 0 C--N 1.37 1.492 0 C-N-CA 124.771 1.228 . . . . 0.0 113.018 179.157 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.462 ' CE2' ' CZ ' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -60.02 -51.34 70.05 Favored 'General case' 0 C--N 1.385 2.143 0 C-N-CA 129.305 3.042 . . . . 0.0 110.849 176.329 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -63.1 -26.41 68.82 Favored 'General case' 0 C--N 1.363 1.181 0 C-N-CA 130.005 3.322 . . . . 0.0 113.851 174.331 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -78.3 -42.07 31.91 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 125.19 1.396 . . . . 0.0 112.119 173.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.489 ' CD1' HG23 ' A' ' 50' ' ' ILE 0.266 0.4 OUTLIER -64.84 -48.13 75.45 Favored 'General case' 0 C--N 1.358 0.97 0 C-N-CA 130.671 3.588 . . . . 0.0 113.205 177.663 . . . . . . . . 4 4 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.489 HG23 ' CD1' ' A' ' 49' ' ' TYR . 8.9 pt -80.42 -1.35 4.68 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.773 1 N-CA-C 121.919 4.044 . . . . 0.0 121.919 -175.087 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.5 t -79.86 0.9 29.13 Favored 'General case' 0 CA--C 1.554 1.124 0 C-N-CA 124.027 0.931 . . . . 0.0 112.74 174.521 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -94.91 -164.97 1.23 Allowed 'General case' 0 CA--C 1.554 1.127 1 C-N-CA 132.282 4.233 . . . . 0.0 106.717 172.168 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.8 -39.75 86.03 Favored 'General case' 0 C--N 1.371 1.515 0 N-CA-C 118.308 2.707 . . . . 0.0 118.308 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -64.0 11.67 0.04 OUTLIER 'General case' 0 CA--C 1.497 -1.074 1 C-N-CA 135.851 5.66 . . . . 0.0 121.58 -169.744 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . 0.309 60.8 t60 -46.43 98.87 0.02 OUTLIER 'General case' 0 C--N 1.367 1.358 0 N-CA-C 117.291 2.33 . . . . 0.0 117.291 179.451 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.417 ' O ' HG21 ' A' ' 50' ' ' ILE . 30.9 mt -130.75 157.58 43.08 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.269 2 C-N-CA 133.786 4.835 . . . . 0.0 99.897 -179.349 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.443 ' CE1' ' CD1' ' A' ' 50' ' ' ILE . 0.1 OUTLIER -134.09 156.85 47.53 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 102.716 -3.068 . . . . 0.0 102.716 166.121 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.51 -13.01 0.19 Allowed 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 130.104 3.362 . . . . 0.0 119.61 -172.416 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . 0.268 12.0 m120 -81.1 -25.78 36.73 Favored 'General case' 0 N--CA 1.427 -1.588 1 C-N-CA 134.588 5.155 . . . . 0.0 109.149 -177.955 . . . . . . . . 3 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -84.92 51.19 2.09 Favored 'General case' 0 C--N 1.382 2.004 0 C-N-CA 127.437 2.295 . . . . 0.0 111.987 168.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 14.3 p -145.85 -169.62 3.28 Favored 'General case' 0 C--N 1.354 0.785 0 O-C-N 120.724 -1.235 . . . . 0.0 109.652 -173.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 24.9 pt20 -97.58 1.16 48.53 Favored 'General case' 0 C--N 1.371 1.524 0 C-N-CA 125.79 1.636 . . . . 0.0 110.908 171.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.402 ' CE3' ' HB2' ' A' ' 69' ' ' PHE . 1.9 m-90 -103.25 110.51 22.52 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 127.956 2.502 . . . . 0.0 108.491 -173.636 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -73.28 -12.4 60.84 Favored 'General case' 0 C--N 1.367 1.361 0 C-N-CA 126.474 1.91 . . . . 0.0 115.592 -175.571 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 t -160.6 158.19 28.56 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 102.037 -3.32 . . . . 0.0 102.037 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.627 HD21 ' HB2' ' A' ' 42' ' ' ASN . 8.7 tp -56.18 -30.74 62.65 Favored 'General case' 0 C--N 1.369 1.454 0 C-N-CA 130.68 3.592 . . . . 0.0 115.583 -173.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.532 HG22 ' HZ2' ' A' ' 71' ' ' LYS . 93.3 m -58.75 -40.66 84.52 Favored 'General case' 0 C--N 1.347 0.486 1 C-N-CA 131.728 4.011 . . . . 0.0 114.452 174.759 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -72.87 -27.7 62.07 Favored 'General case' 0 C--N 1.362 1.117 0 C-N-CA 126.434 1.894 . . . . 0.0 115.439 176.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.402 ' HB2' ' CE3' ' A' ' 63' ' ' TRP . 1.5 t80 -72.79 -38.21 67.31 Favored 'General case' 0 C--N 1.359 0.99 0 C-N-CA 128.412 2.685 . . . . 0.0 109.517 173.047 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . 0.319 0.6 OUTLIER -72.17 -34.32 68.36 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 126.488 1.915 . . . . 0.0 113.028 176.825 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.532 ' HZ2' HG22 ' A' ' 67' ' ' THR . 16.2 mmtm -62.88 -41.15 99.3 Favored 'General case' 0 C--N 1.375 1.696 0 C-N-CA 126.171 1.788 . . . . 0.0 114.046 167.555 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 89.0 t90 -76.69 -48.63 18.31 Favored 'General case' 0 C--N 1.373 1.611 0 C-N-CA 126.742 2.017 . . . . 0.0 112.823 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . 0.526 0.0 OUTLIER -65.62 -34.07 77.37 Favored 'General case' 0 C--N 1.358 0.948 0 C-N-CA 126.786 2.034 . . . . 0.0 115.488 176.651 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.42 ' HA2' ' O ' ' A' ' 79' ' ' CYS . . . -63.63 -28.05 71.94 Favored Glycine 0 C--N 1.367 2.305 0 C-N-CA 128.314 2.864 . . . . 0.0 115.094 163.527 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 36.4 ttt85 -76.74 -36.59 57.0 Favored 'General case' 0 C--N 1.36 1.042 0 C-N-CA 126.103 1.761 . . . . 0.0 113.658 177.613 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -72.86 -13.4 61.27 Favored 'General case' 0 C--N 1.363 1.162 0 N-CA-C 116.454 2.02 . . . . 0.0 116.454 -174.18 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 90.21 17.54 52.89 Favored Glycine 0 C--N 1.357 1.74 0 C-N-CA 124.626 1.108 . . . . 0.0 113.851 178.668 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.543 HD22 HD11 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -106.26 -25.22 12.05 Favored 'General case' 0 CA--C 1.486 -1.492 0 C-N-CA 125.233 1.413 . . . . 0.0 111.678 -179.195 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.42 ' O ' ' HA2' ' A' ' 74' ' ' GLY . 2.7 m -140.27 139.91 35.61 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-N 122.522 2.419 . . . . 0.0 111.986 -179.199 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 83.5 mttt -98.58 115.32 28.37 Favored 'General case' 0 C--N 1.357 0.934 0 O-C-N 120.362 -1.461 . . . . 0.0 109.624 173.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.502 HG22 HG22 ' A' ' 90' ' ' ILE . 0.2 OUTLIER -99.99 151.61 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 O-C-N 118.634 -2.541 . . . . 0.0 113.957 -175.593 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -148.2 154.24 39.85 Favored 'General case' 0 C--N 1.356 0.878 0 CA-C-N 113.25 -1.795 . . . . 0.0 110.703 173.391 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 77.6 tt0 -119.5 140.26 50.77 Favored 'General case' 0 C--N 1.368 1.38 0 CA-C-O 123.02 1.39 . . . . 0.0 112.629 -177.648 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.43 ' HB ' ' CD ' ' A' ' 85' ' ' PRO . 72.8 p -119.56 177.42 1.38 Allowed Pre-proline 0 CA--C 1.504 -0.79 0 C-N-CA 130.777 3.631 . . . . 0.0 110.572 -178.449 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.43 ' CD ' ' HB ' ' A' ' 84' ' ' THR . 14.4 Cg_exo -71.53 -4.44 15.02 Favored 'Trans proline' 0 N--CA 1.442 -1.512 0 N-CA-C 117.877 2.222 . . . . 0.0 117.877 165.644 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 54.0 mttp -116.32 -5.73 11.8 Favored 'General case' 0 C--N 1.363 1.157 0 CA-C-N 120.974 1.715 . . . . 0.0 114.334 -176.196 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 155.62 -172.38 33.7 Favored Glycine 0 C--N 1.354 1.563 0 O-C-N 120.574 -1.329 . . . . 0.0 113.001 -178.008 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.501 ' CZ2' HG23 ' A' ' 67' ' ' THR . 6.1 m95 -102.42 110.04 21.87 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 127.885 2.474 . . . . 0.0 109.973 179.24 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -104.58 133.19 49.86 Favored 'General case' 0 C--N 1.362 1.137 0 C-N-CA 126.094 1.758 . . . . 0.0 107.232 -176.232 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.502 HG22 HG22 ' A' ' 81' ' ' VAL . 3.4 pt -118.85 136.23 56.7 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.603 0 N-CA-C 104.854 -2.276 . . . . 0.0 104.854 -175.58 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -117.4 122.54 44.11 Favored 'General case' 0 CA--C 1.496 -1.12 0 N-CA-C 102.556 -3.128 . . . . 0.0 102.556 169.14 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . 0.3 86.0 t80 -71.42 147.95 47.39 Favored 'General case' 0 N--CA 1.44 -0.928 0 C-N-CA 127.085 2.154 . . . . 0.0 113.249 -178.111 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 34.8 mm -86.66 116.8 29.88 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.853 0 C-N-CA 131.012 3.725 . . . . 0.0 104.589 175.303 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . 0.342 46.3 p-10 -79.53 95.53 5.87 Favored 'General case' 0 C--N 1.361 1.087 0 O-C-N 120.538 -1.351 . . . . 0.0 111.657 -179.554 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.432 ' HD3' HD23 ' A' ' 78' ' ' LEU 0.259 23.9 mmm180 -35.86 -93.14 0.0 OUTLIER 'General case' 0 C--N 1.359 0.982 1 C-N-CA 134.54 5.136 . . . . 0.0 114.292 179.088 . . . . . . . . 4 3 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -102.29 115.56 64.34 Favored Pre-proline 0 N--CA 1.447 -0.586 0 CA-C-O 114.546 -2.645 . . . . 0.0 104.207 156.283 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -58.23 -21.6 52.83 Favored 'Trans proline' 0 C--N 1.358 1.034 1 C-N-CA 126.959 5.106 . . . . 0.0 115.782 179.003 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -67.52 -20.22 65.41 Favored 'General case' 0 C--N 1.365 1.274 0 C-N-CA 127.951 2.5 . . . . 0.0 111.142 167.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.446 HG22 HD12 ' A' ' 100' ' ' ILE 0.258 0.4 OUTLIER -76.54 -53.03 8.63 Favored 'General case' 0 C--N 1.368 1.397 0 C-N-CA 125.733 1.613 . . . . 0.0 109.135 167.603 . . . . . . . . 4 4 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.446 HD12 HG22 ' A' ' 99' ' ' THR . 1.7 mp -57.84 -51.17 73.79 Favored 'Isoleucine or valine' 0 C--N 1.382 2.013 0 C-N-CA 129.216 3.006 . . . . 0.0 112.578 177.527 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 26.2 mmt85 -72.99 -21.5 60.83 Favored 'General case' 0 C--N 1.358 0.978 0 O-C-N 119.375 -2.078 . . . . 0.0 113.566 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -82.0 -37.83 25.98 Favored 'General case' 0 C--N 1.369 1.452 0 C-N-CA 124.773 1.229 . . . . 0.0 109.099 171.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . 0.441 37.9 mt-30 -60.37 -46.54 89.59 Favored 'General case' 0 C--N 1.37 1.473 0 C-N-CA 129.071 2.948 . . . . 0.0 113.636 172.101 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 100' ' ' ILE 0.254 0.0 OUTLIER -82.22 -50.8 8.58 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 115.901 1.815 . . . . 0.0 115.901 174.89 . . . . . . . . 4 4 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 . . . . . 0 C--N 1.362 1.152 0 N-CA-C 117.881 2.548 . . . . 0.0 117.881 -171.38 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.7 tmt? . . . . . 0 CA--C 1.501 -0.936 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -63.0 -32.55 73.94 Favored 'General case' 0 C--N 1.365 1.245 0 C-N-CA 127.193 2.197 . . . . 0.0 114.385 177.319 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -69.87 -52.65 23.02 Favored 'General case' 0 C--N 1.366 1.319 0 C-N-CA 127.089 2.156 . . . . 0.0 113.453 176.182 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 -73.73 -34.0 64.59 Favored 'General case' 0 C--N 1.356 0.865 0 C-N-CA 129.044 2.938 . . . . 0.0 113.323 178.549 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . 0.321 5.9 m -70.72 -29.42 65.69 Favored 'General case' 0 C--N 1.365 1.257 0 C-N-CA 126.004 1.721 . . . . 0.0 113.98 173.144 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -65.2 -40.18 93.83 Favored 'General case' 0 C--N 1.369 1.456 0 O-C-N 120.714 -1.241 . . . . 0.0 113.169 172.177 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -74.97 -49.96 18.26 Favored 'General case' 0 C--N 1.364 1.23 0 C-N-CA 125.849 1.66 . . . . 0.0 112.761 171.253 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.448 ' CZ ' ' CZ ' ' A' ' 46' ' ' TYR . 12.9 t80 -66.55 -52.8 41.74 Favored 'General case' 0 C--N 1.371 1.543 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 -178.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.446 HH11 ' HG ' ' A' ' 28' ' ' LEU 0.386 0.0 OUTLIER -66.03 -38.69 89.04 Favored 'General case' 0 C--N 1.359 1.0 0 O-C-N 120.153 -1.592 . . . . 0.0 115.208 178.791 . . . . . . . . 4 4 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -70.91 -51.16 27.78 Favored 'General case' 0 C--N 1.358 0.953 0 O-C-N 119.455 -2.028 . . . . 0.0 115.525 173.569 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -74.41 -39.55 62.57 Favored 'General case' 0 C--N 1.37 1.457 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 -178.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -66.98 -44.87 79.33 Favored 'General case' 0 C--N 1.373 1.619 0 C-N-CA 126.023 1.729 . . . . 0.0 111.269 176.247 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.446 ' HG ' HH11 ' A' ' 24' ' ' ARG . 16.7 mt -66.81 -35.68 80.61 Favored 'General case' 0 C--N 1.379 1.85 0 CA-C-N 119.983 1.265 . . . . 0.0 112.811 172.133 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -60.4 -54.1 49.63 Favored 'General case' 0 C--N 1.366 1.309 0 N-CA-C 115.439 1.644 . . . . 0.0 115.439 172.324 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.411 HD11 ' HB2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -70.34 -34.81 73.09 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 125.886 1.674 . . . . 0.0 114.764 178.195 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.6 -53.82 52.87 Favored 'General case' 0 C--N 1.373 1.616 0 C-N-CA 127.266 2.226 . . . . 0.0 110.864 170.814 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.3 mtm180 -63.45 -38.44 91.14 Favored 'General case' 0 C--N 1.365 1.24 0 N-CA-C 114.984 1.475 . . . . 0.0 114.984 -176.298 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.481 ' HA ' ' HB3' ' A' ' 103' ' ' GLN 0.27 2.6 ptt180 -71.68 -51.44 23.01 Favored 'General case' 0 C--N 1.374 1.665 0 N-CA-C 116.947 2.203 . . . . 0.0 116.947 165.005 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 -79.71 -28.73 40.57 Favored 'General case' 0 C--N 1.358 0.967 0 N-CA-C 114.516 1.302 . . . . 0.0 114.516 -167.401 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -117.55 -31.25 5.27 Favored 'General case' 0 C--N 1.359 1.005 0 C-N-CA 125.034 1.334 . . . . 0.0 112.243 -175.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 75.36 -116.85 5.08 Favored Glycine 0 C--N 1.378 2.912 0 C-N-CA 125.595 1.569 . . . . 0.0 113.696 -174.183 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.452 HG21 ' HB3' ' A' ' 94' ' ' ASP . 6.0 p -124.88 108.11 11.58 Favored 'General case' 0 N--CA 1.441 -0.903 0 N-CA-C 100.693 -3.817 . . . . 0.0 100.693 169.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -157.82 142.44 16.36 Favored 'General case' 0 CA--C 1.493 -1.247 0 N-CA-C 104.308 -2.478 . . . . 0.0 104.308 -175.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.85 107.88 4.22 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-O 123.114 1.435 . . . . 0.0 112.068 175.197 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.7 p -141.46 145.79 24.19 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.071 0 O-C-N 120.082 -1.636 . . . . 0.0 106.877 -176.5 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.517 ' CE1' ' H ' ' A' ' 88' ' ' TRP . 15.6 t60 -68.45 135.81 52.26 Favored 'General case' 0 N--CA 1.444 -0.731 0 C-N-CA 127.917 2.487 . . . . 0.0 112.662 -179.434 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -65.8 -29.64 70.15 Favored 'General case' 0 C--N 1.361 1.078 0 N-CA-C 116.819 2.155 . . . . 0.0 116.819 -175.05 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -66.8 -27.02 67.23 Favored 'General case' 0 C--N 1.361 1.075 0 C-N-CA 125.408 1.483 . . . . 0.0 113.138 171.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.439 ' HA ' ' ND2' ' A' ' 47' ' ' ASN . 12.3 mt -76.3 -43.53 36.67 Favored 'Isoleucine or valine' 0 C--N 1.372 1.577 0 C-N-CA 128.61 2.764 . . . . 0.0 112.384 174.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.4 m -70.12 -37.29 71.51 Favored 'Isoleucine or valine' 0 C--N 1.367 1.329 0 O-C-N 121.014 -1.054 . . . . 0.0 109.23 171.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.448 ' CZ ' ' CZ ' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -65.32 -51.98 57.01 Favored 'General case' 0 C--N 1.391 2.396 0 C-N-CA 126.256 1.822 . . . . 0.0 111.663 175.601 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.439 ' ND2' ' HA ' ' A' ' 44' ' ' ILE . 15.9 p30 -59.21 -28.03 66.28 Favored 'General case' 0 C--N 1.369 1.453 0 CA-C-N 121.821 2.101 . . . . 0.0 115.636 175.236 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -75.71 -43.84 45.06 Favored 'General case' 0 C--N 1.367 1.349 0 CA-C-N 114.149 -1.387 . . . . 0.0 111.473 177.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.772 ' CE1' HG23 ' A' ' 50' ' ' ILE . 22.2 t80 -64.31 -53.25 51.82 Favored 'General case' 0 C--N 1.357 0.929 0 C-N-CA 131.519 3.928 . . . . 0.0 114.722 176.056 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.772 HG23 ' CE1' ' A' ' 49' ' ' TYR 0.432 1.1 pt -82.09 -3.88 7.4 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.16 0 N-CA-C 121.304 3.816 . . . . 0.0 121.304 -177.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 24.4 t -87.78 57.11 4.19 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.754 1.622 . . . . 0.0 107.085 169.71 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -154.56 -166.68 2.39 Favored 'General case' 0 N--CA 1.447 -0.618 1 C-N-CA 131.894 4.078 . . . . 0.0 101.729 -173.553 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.2 ppt_? -65.09 -30.63 71.6 Favored 'General case' 0 C--N 1.362 1.132 0 N-CA-C 117.224 2.305 . . . . 0.0 117.224 175.059 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -81.57 10.53 5.8 Favored 'General case' 0 CA--C 1.5 -0.953 0 N-CA-C 120.181 3.4 . . . . 0.0 120.181 -164.513 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.541 ' HD2' ' HB ' ' A' ' 50' ' ' ILE 0.48 13.6 t-80 -29.74 71.16 0.0 OUTLIER 'General case' 0 C--N 1.367 1.328 1 N-CA-C 122.697 4.332 . . . . 0.0 122.697 -174.861 . . . . . . . . 4 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.551 ' H ' HG21 ' A' ' 50' ' ' ILE . 38.2 mt -101.76 131.02 50.51 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.219 1 C-N-CA 132.293 4.237 . . . . 0.0 105.596 173.911 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -114.16 160.16 19.28 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 103.326 -2.842 . . . . 0.0 103.326 170.018 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.93 -17.98 1.18 Allowed 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 119.553 3.168 . . . . 0.0 119.553 -171.765 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . 0.309 9.3 m120 -78.35 -20.67 50.84 Favored 'General case' 0 N--CA 1.424 -1.73 1 C-N-CA 135.921 5.688 . . . . 0.0 109.678 -177.738 . . . . . . . . 3 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.451 ' HB3' HG23 ' A' ' 56' ' ' ILE . . . -89.45 49.26 1.72 Allowed 'General case' 0 C--N 1.385 2.113 0 C-N-CA 128.949 2.9 . . . . 0.0 110.994 168.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 8.3 p -149.81 -173.54 4.45 Favored 'General case' 0 C--N 1.361 1.083 0 C-N-CA 127.119 2.167 . . . . 0.0 109.975 -175.3 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -88.54 -19.89 25.79 Favored 'General case' 0 C--N 1.37 1.469 0 C-N-CA 129.662 3.185 . . . . 0.0 112.266 174.355 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 1.7 m-90 -85.17 107.61 17.32 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 128.529 2.732 . . . . 0.0 111.678 -176.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.405 ' HG3' HG23 ' A' ' 65' ' ' THR . 14.3 pt-20 -72.5 -10.0 59.25 Favored 'General case' 0 C--N 1.361 1.089 0 N-CA-C 117.076 2.251 . . . . 0.0 117.076 178.589 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.405 HG23 ' HG3' ' A' ' 64' ' ' GLU . 40.4 p -147.65 153.97 40.03 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 127.659 2.383 . . . . 0.0 104.647 -175.079 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.444 ' O ' HD23 ' A' ' 66' ' ' LEU . 1.2 tt -75.29 -3.24 32.21 Favored 'General case' 0 C--N 1.373 1.608 0 O-C-N 119.386 -2.071 . . . . 0.0 113.855 177.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.668 HG23 ' CZ2' ' A' ' 88' ' ' TRP . 33.0 m -80.54 -37.08 32.15 Favored 'General case' 0 C--N 1.358 0.973 0 C-N-CA 131.015 3.726 . . . . 0.0 107.643 175.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -72.79 -29.74 63.53 Favored 'General case' 0 C--N 1.361 1.087 0 N-CA-C 116.034 1.864 . . . . 0.0 116.034 174.118 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -72.48 -38.02 68.3 Favored 'General case' 0 C--N 1.363 1.177 0 C-N-CA 126.423 1.889 . . . . 0.0 110.346 171.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.607 ' HB ' HG21 ' A' ' 81' ' ' VAL 0.258 2.0 p -72.67 -35.21 67.64 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 124.796 1.238 . . . . 0.0 112.072 175.509 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.8 mmtp -62.38 -36.32 81.92 Favored 'General case' 0 C--N 1.378 1.837 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 169.449 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 87.2 t90 -78.29 -49.13 14.24 Favored 'General case' 0 C--N 1.37 1.478 0 C-N-CA 126.481 1.912 . . . . 0.0 112.742 177.176 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . 0.677 0.0 OUTLIER -65.28 -32.91 74.81 Favored 'General case' 0 C--N 1.361 1.091 0 O-C-N 119.157 -2.214 . . . . 0.0 115.637 177.852 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -60.41 -28.76 67.79 Favored Glycine 0 C--N 1.369 2.374 0 CA-C-N 112.306 -2.224 . . . . 0.0 116.101 160.544 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -83.5 -39.12 20.88 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 127.215 2.206 . . . . 0.0 114.668 177.305 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.438 ' CB ' ' CD1' ' A' ' 78' ' ' LEU . 49.7 mm-40 -66.96 -20.16 65.84 Favored 'General case' 0 C--N 1.359 1.0 0 C-N-CA 129.815 3.246 . . . . 0.0 113.504 177.07 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 91.35 15.6 55.09 Favored Glycine 0 C--N 1.359 1.833 0 CA-C-O 122.783 1.213 . . . . 0.0 111.412 165.192 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.438 ' CD1' ' CB ' ' A' ' 76' ' ' GLU . 3.1 mp -95.36 -31.73 13.28 Favored 'General case' 0 CA--C 1.48 -1.712 0 C-N-CA 125.112 1.365 . . . . 0.0 111.4 -177.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 92' ' ' TYR . 2.4 m -140.7 146.18 37.47 Favored 'General case' 0 CA--C 1.508 -0.648 0 O-C-N 119.448 -2.032 . . . . 0.0 114.44 -177.5 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 59.6 mttt -99.07 143.53 29.25 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 129.087 2.955 . . . . 0.0 107.266 175.303 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.607 HG21 ' HB ' ' A' ' 70' ' ' THR . 0.1 OUTLIER -132.25 144.41 37.1 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.696 0 O-C-N 119.429 -2.044 . . . . 0.0 112.176 -170.641 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -142.81 150.65 40.23 Favored 'General case' 0 C--N 1.359 1.003 0 CA-C-N 113.983 -1.462 . . . . 0.0 110.272 173.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -121.48 138.33 54.33 Favored 'General case' 0 C--N 1.365 1.257 0 O-C-N 120.537 -1.352 . . . . 0.0 109.672 178.353 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 46.4 p -124.99 175.73 2.84 Favored Pre-proline 0 C--N 1.361 1.093 0 C-N-CA 127.27 2.228 . . . . 0.0 111.172 -175.12 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -64.99 -6.48 12.91 Favored 'Trans proline' 0 CA--C 1.559 1.742 0 C-N-CA 123.173 2.582 . . . . 0.0 117.272 163.57 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -119.88 25.92 9.64 Favored 'General case' 0 C--N 1.364 1.198 0 C-N-CA 127.5 2.32 . . . . 0.0 111.844 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.465 ' HA3' ' CE1' ' A' ' 41' ' ' HIS . . . 115.59 -168.08 12.55 Favored Glycine 0 C--N 1.366 2.242 0 N-CA-C 118.687 2.235 . . . . 0.0 118.687 174.768 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.668 ' CZ2' HG23 ' A' ' 67' ' ' THR . 18.2 m95 -97.67 110.09 22.72 Favored 'General case' 0 C--N 1.368 1.404 0 C-N-CA 129.809 3.243 . . . . 0.0 108.793 177.389 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -108.89 132.25 54.23 Favored 'General case' 0 C--N 1.363 1.188 0 C-N-CA 127.866 2.466 . . . . 0.0 107.14 -178.493 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.578 HG22 HG22 ' A' ' 81' ' ' VAL . 2.3 pt -122.92 137.66 55.64 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.973 0 C-N-CA 126.241 1.816 . . . . 0.0 107.35 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -123.31 125.55 45.24 Favored 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 103.534 -2.765 . . . . 0.0 103.534 171.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.416 ' HA ' ' HA ' ' A' ' 79' ' ' CYS 0.273 49.3 t80 -63.11 147.49 50.67 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 127.953 2.501 . . . . 0.0 114.118 178.076 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.2 mt -94.25 106.41 18.06 Favored 'Isoleucine or valine' 0 C--N 1.354 0.768 0 N-CA-C 100.363 -3.94 . . . . 0.0 100.363 177.209 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.452 ' HB3' HG21 ' A' ' 37' ' ' THR 0.286 2.1 p30 -49.7 -27.11 4.36 Favored 'General case' 0 C--N 1.36 1.057 1 N-CA-C 122.389 4.218 . . . . 0.0 122.389 -167.847 . . . . . . . . 4 3 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . 0.321 6.3 mtp180 74.71 -92.45 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 128.208 2.603 . . . . 0.0 108.443 -179.476 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -102.45 119.25 56.72 Favored Pre-proline 0 N--CA 1.451 -0.387 0 N-CA-C 104.746 -2.316 . . . . 0.0 104.746 159.437 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -74.13 -8.6 21.21 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 125.239 3.959 . . . . 0.0 113.439 -177.454 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -70.81 -28.47 64.66 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 127.841 2.456 . . . . 0.0 109.672 168.027 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -68.51 -38.7 81.16 Favored 'General case' 0 C--N 1.372 1.55 0 O-C-N 120.223 -1.548 . . . . 0.0 111.621 174.487 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 45.7 mm -73.62 -50.76 28.11 Favored 'Isoleucine or valine' 0 C--N 1.365 1.275 0 C-N-CA 130.175 3.39 . . . . 0.0 110.168 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 85.4 mtm180 -66.34 -34.77 78.72 Favored 'General case' 0 C--N 1.364 1.223 0 O-C-N 119.992 -1.693 . . . . 0.0 113.697 175.063 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.83 -25.56 56.38 Favored 'General case' 0 C--N 1.372 1.545 0 C-N-CA 125.079 1.352 . . . . 0.0 111.171 173.582 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.481 ' HB3' ' HA ' ' A' ' 33' ' ' ARG 0.266 37.8 mt-30 -72.23 -41.05 67.27 Favored 'General case' 0 C--N 1.364 1.202 0 C-N-CA 124.684 1.194 . . . . 0.0 114.142 173.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.83 -53.89 6.63 Favored 'General case' 0 C--N 1.355 0.844 0 O-C-N 120.974 -1.079 . . . . 0.0 112.927 177.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 . . . . . 0 C--N 1.362 1.13 0 N-CA-C 118.946 2.943 . . . . 0.0 118.946 -174.36 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.6 tmt? . . . . . 0 N--CA 1.478 0.959 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -65.11 -47.66 76.39 Favored 'General case' 0 C--N 1.365 1.24 0 O-C-N 119.429 -2.045 . . . . 0.0 113.952 172.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -70.39 -52.81 19.69 Favored 'General case' 0 C--N 1.364 1.215 0 C-N-CA 127.232 2.213 . . . . 0.0 114.646 175.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.8 m-30 -74.05 -44.5 54.06 Favored 'General case' 0 C--N 1.364 1.2 0 C-N-CA 127.184 2.194 . . . . 0.0 115.018 -178.59 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . 0.387 7.0 t -66.62 -29.17 69.15 Favored 'General case' 0 C--N 1.373 1.62 0 N-CA-C 114.918 1.451 . . . . 0.0 114.918 175.112 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -69.5 -48.35 60.88 Favored 'General case' 0 C--N 1.365 1.259 0 CA-C-N 121.709 2.05 . . . . 0.0 112.46 175.63 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -65.37 -45.9 82.25 Favored 'General case' 0 C--N 1.368 1.389 0 C-N-CA 125.999 1.719 . . . . 0.0 112.251 174.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.444 ' CE1' ' CE2' ' A' ' 46' ' ' TYR . 11.6 t80 -59.51 -50.95 71.95 Favored 'General case' 0 C--N 1.381 1.935 0 C-N-CA 125.258 1.423 . . . . 0.0 112.852 172.511 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.457 ' HE ' ' CD2' ' A' ' 28' ' ' LEU 0.387 0.0 OUTLIER -69.22 -34.22 74.52 Favored 'General case' 0 C--N 1.357 0.933 0 N-CA-C 116.274 1.953 . . . . 0.0 116.274 178.477 . . . . . . . . 4 4 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -71.13 -51.49 24.66 Favored 'General case' 0 C--N 1.357 0.924 0 O-C-N 120.279 -1.513 . . . . 0.0 114.538 172.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -76.79 -38.33 54.18 Favored 'General case' 0 C--N 1.365 1.272 0 N-CA-C 115.044 1.498 . . . . 0.0 115.044 178.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -70.84 -38.73 73.22 Favored 'General case' 0 C--N 1.373 1.619 0 C-N-CA 126.098 1.759 . . . . 0.0 110.63 175.471 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.457 ' CD2' ' HE ' ' A' ' 24' ' ' ARG . 0.1 OUTLIER -66.41 -37.88 86.21 Favored 'General case' 0 C--N 1.383 2.023 0 CA-C-N 121.065 1.757 . . . . 0.0 111.548 172.534 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -60.64 -53.79 53.18 Favored 'General case' 0 C--N 1.359 0.999 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 171.166 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.488 HD21 ' HG2' ' A' ' 48' ' ' GLU . 5.5 tp -57.27 -43.2 82.87 Favored 'General case' 0 C--N 1.365 1.264 0 C-N-CA 128.274 2.63 . . . . 0.0 114.002 175.7 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 tt -64.31 -45.91 85.88 Favored 'General case' 0 C--N 1.368 1.375 0 C-N-CA 129.608 3.163 . . . . 0.0 112.668 174.209 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 56.6 mtm180 -74.33 -45.46 47.13 Favored 'General case' 0 C--N 1.357 0.919 0 N-CA-C 115.297 1.591 . . . . 0.0 115.297 178.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.4 ptt180 -70.94 -48.22 54.68 Favored 'General case' 0 CA--C 1.48 -1.724 0 N-CA-C 117.527 2.417 . . . . 0.0 117.527 175.666 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.4 mtt180 -83.2 -31.07 27.28 Favored 'General case' 0 N--CA 1.435 -1.204 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 -175.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -111.97 -27.7 8.32 Favored 'General case' 0 C--N 1.362 1.141 0 CA-C-O 117.82 -1.086 . . . . 0.0 113.441 -174.201 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.34 -108.23 2.41 Favored Glycine 0 C--N 1.397 3.934 0 CA-C-N 123.156 2.707 . . . . 0.0 113.029 -175.417 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.8 p -135.1 108.28 7.72 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 100.475 -3.898 . . . . 0.0 100.475 168.512 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -141.16 139.95 33.98 Favored 'General case' 0 CA--C 1.505 -0.782 0 C-N-CA 125.178 1.391 . . . . 0.0 109.616 -177.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.08 110.78 5.96 Favored 'General case' 0 C--N 1.371 1.503 0 O-C-N 120.428 -1.42 . . . . 0.0 109.563 168.403 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.5 p -147.17 156.2 10.69 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.439 0 O-C-N 119.296 -2.127 . . . . 0.0 106.946 -166.649 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.408 ' CD2' ' O ' ' A' ' 88' ' ' TRP . 64.5 t-80 -85.75 119.8 26.48 Favored 'General case' 0 C--N 1.367 1.355 0 CA-C-O 123.155 1.455 . . . . 0.0 108.752 176.747 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -52.31 -32.82 39.66 Favored 'General case' 0 C--N 1.349 0.561 0 C-N-CA 130.186 3.394 . . . . 0.0 116.216 -178.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.291 3.5 t-20 -71.42 -28.11 63.76 Favored 'General case' 0 C--N 1.363 1.166 0 O-C-N 120.394 -1.441 . . . . 0.0 111.489 176.259 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.3 mt -66.29 -40.98 88.21 Favored 'Isoleucine or valine' 0 C--N 1.376 1.723 0 C-N-CA 128.22 2.608 . . . . 0.0 109.944 170.141 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.2 m -73.3 -39.53 55.85 Favored 'Isoleucine or valine' 0 C--N 1.359 0.982 0 C-N-CA 125.128 1.371 . . . . 0.0 112.239 178.586 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.444 ' CE2' ' CE1' ' A' ' 23' ' ' PHE . 0.4 OUTLIER -65.21 -50.98 63.77 Favored 'General case' 0 C--N 1.376 1.731 0 C-N-CA 129.837 3.255 . . . . 0.0 110.256 176.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -61.74 -31.95 72.16 Favored 'General case' 0 C--N 1.373 1.591 0 C-N-CA 127.126 2.171 . . . . 0.0 113.522 172.623 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.488 ' HG2' HD21 ' A' ' 30' ' ' LEU . 18.9 tt0 -69.24 -44.02 72.83 Favored 'General case' 0 C--N 1.365 1.256 0 C-N-CA 124.189 0.995 . . . . 0.0 113.206 171.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.499 ' CE2' HG23 ' A' ' 50' ' ' ILE 0.362 0.1 OUTLIER -68.05 -52.05 39.73 Favored 'General case' 0 C--N 1.362 1.13 0 C-N-CA 128.144 2.577 . . . . 0.0 113.41 175.075 . . . . . . . . 4 4 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.499 HG23 ' CE2' ' A' ' 49' ' ' TYR . 0.5 OUTLIER -71.86 -18.63 19.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 N-CA-C 118.23 2.678 . . . . 0.0 118.23 -179.534 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 65.9 m -66.0 0.48 1.87 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 126.444 1.898 . . . . 0.0 115.384 175.257 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 57.7 m-70 -91.23 -137.65 0.15 Allowed 'General case' 0 C--N 1.358 0.953 0 C-N-CA 129.766 3.226 . . . . 0.0 107.218 172.1 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.34 -37.03 53.21 Favored 'General case' 0 C--N 1.357 0.925 0 N-CA-C 117.129 2.27 . . . . 0.0 117.129 177.112 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -78.43 11.74 2.31 Favored 'General case' 0 CA--C 1.502 -0.894 1 N-CA-C 123.727 4.714 . . . . 0.0 123.727 -160.019 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . 0.37 5.7 t-160 -28.94 48.09 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.311 1 N-CA-C 126.125 5.602 . . . . 0.0 126.125 -172.018 . . . . . . . . 3 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.461 HG23 ' HB3' ' A' ' 60' ' ' ALA . 7.3 mt -88.11 93.82 4.4 Favored 'Isoleucine or valine' 0 C--N 1.367 1.329 0 C-N-CA 131.454 3.902 . . . . 0.0 104.7 169.047 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.497 ' HD2' ' H ' ' A' ' 58' ' ' MET . 1.9 t-160 -92.24 -176.01 4.22 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 125.667 1.587 . . . . 0.0 107.642 -179.267 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.497 ' H ' ' HD2' ' A' ' 57' ' ' HIS . 2.0 ttm -56.85 -12.51 1.98 Allowed 'General case' 0 CA--C 1.549 0.937 0 O-C-N 118.239 -2.788 . . . . 0.0 113.942 170.351 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -85.72 -9.44 57.15 Favored 'General case' 0 CA--C 1.574 1.899 1 C-N-CA 134.056 4.942 . . . . 0.0 112.445 174.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.461 ' HB3' HG23 ' A' ' 56' ' ' ILE . . . -124.57 55.57 1.32 Allowed 'General case' 0 C--N 1.371 1.53 0 C-N-CA 126.895 2.078 . . . . 0.0 110.734 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 9.7 t -179.86 175.99 0.79 Allowed 'General case' 0 C--N 1.363 1.188 0 O-C-N 120.513 -1.367 . . . . 0.0 108.587 -173.014 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -83.36 -10.9 58.18 Favored 'General case' 0 C--N 1.366 1.295 0 C-N-CA 127.573 2.349 . . . . 0.0 115.746 -173.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -103.01 97.4 7.51 Favored 'General case' 0 N--CA 1.441 -0.911 0 C-N-CA 128.155 2.582 . . . . 0.0 107.612 -177.223 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -75.67 -42.84 50.17 Favored 'General case' 0 C--N 1.361 1.073 0 C-N-CA 127.396 2.279 . . . . 0.0 112.411 -177.055 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -110.33 142.41 42.0 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 103.322 -2.844 . . . . 0.0 103.322 179.623 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.9 tp -52.76 -31.87 40.44 Favored 'General case' 0 C--N 1.378 1.825 0 C-N-CA 128.562 2.745 . . . . 0.0 114.675 -174.181 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.573 HG23 ' CZ2' ' A' ' 88' ' ' TRP . 29.3 m -56.35 -44.31 79.97 Favored 'General case' 0 CA--C 1.497 -1.088 1 C-N-CA 134.273 5.029 . . . . 0.0 110.66 -179.305 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.93 -27.09 62.58 Favored 'General case' 0 C--N 1.36 1.061 0 N-CA-C 117.393 2.368 . . . . 0.0 117.393 173.626 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.505 ' CZ ' HD22 ' A' ' 73' ' ' LEU . 26.8 t80 -72.45 -37.88 68.42 Favored 'General case' 0 C--N 1.365 1.273 0 C-N-CA 125.497 1.519 . . . . 0.0 110.164 171.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.5 ' HB ' HG21 ' A' ' 81' ' ' VAL . 1.0 OUTLIER -71.22 -36.84 72.01 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 126.72 2.008 . . . . 0.0 112.222 176.092 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.3 mmtt -62.09 -38.16 87.82 Favored 'General case' 0 C--N 1.383 2.054 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 168.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 79.9 t90 -80.71 -56.53 4.08 Favored 'General case' 0 C--N 1.364 1.221 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 178.187 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.505 HD22 ' CZ ' ' A' ' 69' ' ' PHE . 0.2 OUTLIER -65.13 -35.36 80.88 Favored 'General case' 0 C--N 1.364 1.224 0 N-CA-C 116.865 2.172 . . . . 0.0 116.865 -178.285 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -59.66 -27.58 64.08 Favored Glycine 0 C--N 1.361 1.932 0 C-N-CA 127.675 2.559 . . . . 0.0 114.704 170.32 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -83.6 -18.78 37.05 Favored 'General case' 0 CA--C 1.506 -0.737 0 N-CA-C 116.387 1.995 . . . . 0.0 116.387 -177.368 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -85.01 -18.54 34.11 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 124.776 1.23 . . . . 0.0 112.751 -175.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 90.51 24.92 27.13 Favored Glycine 0 C--N 1.37 2.445 0 C-N-CA 120.429 -0.891 . . . . 0.0 111.222 -176.415 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -104.59 -36.1 7.61 Favored 'General case' 0 CA--C 1.48 -1.743 0 C-N-CA 123.852 0.861 . . . . 0.0 109.724 174.632 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 92' ' ' TYR . 22.6 m -134.27 151.08 51.08 Favored 'General case' 0 C--O 1.222 -0.382 0 N-CA-C 116.793 2.146 . . . . 0.0 116.793 -179.036 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -104.12 143.74 32.5 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 127.475 2.31 . . . . 0.0 107.183 171.293 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.5 HG21 ' HB ' ' A' ' 70' ' ' THR . 0.1 OUTLIER -129.05 142.34 44.29 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.599 0 O-C-N 118.833 -2.417 . . . . 0.0 112.009 -175.3 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -139.89 150.95 45.21 Favored 'General case' 0 C--N 1.364 1.233 0 C-N-CA 125.699 1.6 . . . . 0.0 109.257 176.103 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -123.4 139.65 53.82 Favored 'General case' 0 C--N 1.369 1.429 0 O-C-N 120.507 -1.371 . . . . 0.0 112.301 -179.304 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.451 ' HB ' ' CD ' ' A' ' 85' ' ' PRO . 71.4 p -121.03 176.68 1.77 Allowed Pre-proline 0 C--N 1.358 0.97 0 C-N-CA 131.156 3.782 . . . . 0.0 109.375 -178.76 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.451 ' CD ' ' HB ' ' A' ' 84' ' ' THR . 16.9 Cg_exo -70.61 -1.49 9.26 Favored 'Trans proline' 0 N--CA 1.443 -1.49 0 N-CA-C 117.797 2.191 . . . . 0.0 117.797 165.628 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -111.02 -6.54 14.63 Favored 'General case' 0 C--N 1.361 1.1 0 CA-C-N 120.4 1.455 . . . . 0.0 114.163 -176.605 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 150.91 -164.64 30.03 Favored Glycine 0 C--N 1.359 1.813 0 O-C-N 120.631 -1.293 . . . . 0.0 112.943 -172.253 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.573 ' CZ2' HG23 ' A' ' 67' ' ' THR . 20.5 m95 -105.59 131.42 53.0 Favored 'General case' 0 C--N 1.359 0.985 0 CA-C-O 124.265 1.984 . . . . 0.0 107.417 171.16 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -116.2 125.7 52.63 Favored 'General case' 0 CA--C 1.5 -0.953 0 N-CA-C 103.34 -2.837 . . . . 0.0 103.34 -179.366 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -115.64 138.35 46.32 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.836 0 C-N-CA 126.527 1.931 . . . . 0.0 106.105 -179.414 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -121.17 120.37 35.05 Favored 'General case' 0 CA--C 1.49 -1.342 0 N-CA-C 102.587 -3.116 . . . . 0.0 102.587 171.357 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.462 ' HA ' ' HA ' ' A' ' 79' ' ' CYS 0.495 0.2 OUTLIER -73.84 147.31 43.43 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.945 1.698 . . . . 0.0 112.337 179.399 . . . . . . . . 4 4 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . 0.272 2.3 mm -86.33 120.31 35.86 Favored 'Isoleucine or valine' 0 C--N 1.355 0.81 1 C-N-CA 134.083 4.953 . . . . 0.0 104.496 -176.828 . . . . . . . . 3 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . 0.401 1.1 p30 -83.84 85.38 7.31 Favored 'General case' 0 C--N 1.366 1.313 0 CA-C-N 122.935 2.607 . . . . 0.0 111.545 179.015 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -27.07 -100.82 0.0 OUTLIER 'General case' 0 C--N 1.354 0.79 1 C-N-CA 134.961 5.305 . . . . 0.0 115.627 175.13 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -102.56 121.47 49.65 Favored Pre-proline 0 C--N 1.35 0.6 0 CA-C-O 113.857 -2.973 . . . . 0.0 105.405 163.208 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_exo -55.33 -25.34 47.08 Favored 'Trans proline' 0 C--N 1.358 1.07 2 C-N-CA 126.992 5.128 . . . . 0.0 117.017 -176.533 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -54.04 -44.63 71.17 Favored 'General case' 0 C--N 1.364 1.236 0 C-N-CA 129.193 2.997 . . . . 0.0 110.771 167.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -57.3 -47.19 82.14 Favored 'General case' 0 C--N 1.369 1.421 0 C-N-CA 126.756 2.023 . . . . 0.0 114.142 175.711 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.8 mp -66.78 -50.02 69.24 Favored 'Isoleucine or valine' 0 C--N 1.365 1.252 1 C-N-CA 131.822 4.049 . . . . 0.0 110.784 175.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 75.4 mtm-85 -69.05 -34.66 75.53 Favored 'General case' 0 C--N 1.361 1.071 0 O-C-N 119.241 -2.162 . . . . 0.0 113.237 177.583 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 -66.18 -33.47 75.85 Favored 'General case' 0 C--N 1.376 1.753 0 C-N-CA 126.089 1.756 . . . . 0.0 111.27 168.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . 0.319 1.3 mp0 -63.71 -59.55 4.44 Favored 'General case' 0 C--N 1.359 0.995 0 N-CA-C 115.999 1.851 . . . . 0.0 115.999 168.311 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.3 -38.88 75.07 Favored 'General case' 0 C--N 1.345 0.387 0 N-CA-C 115.548 1.684 . . . . 0.0 115.548 -176.097 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 . . . . . 0 C--N 1.362 1.128 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 -178.971 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.435 ' HE2' ' CZ2' ' A' ' 63' ' ' TRP . 1.8 tmt? . . . . . 0 N--CA 1.474 0.757 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -62.36 -44.25 96.9 Favored 'General case' 0 C--N 1.363 1.182 0 O-C-N 120.234 -1.541 . . . . 0.0 112.602 170.07 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -70.31 -53.41 16.9 Favored 'General case' 0 C--N 1.362 1.125 0 C-N-CA 126.795 2.038 . . . . 0.0 115.454 173.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.277 28.7 m-85 -74.79 -39.73 61.56 Favored 'General case' 0 C--N 1.369 1.455 0 C-N-CA 126.839 2.056 . . . . 0.0 115.679 179.375 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . 0.304 1.4 t -66.87 -30.11 70.18 Favored 'General case' 0 C--N 1.375 1.681 0 C-N-CA 125.128 1.371 . . . . 0.0 112.407 175.435 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -69.9 -35.22 74.44 Favored 'General case' 0 C--N 1.37 1.478 0 C-N-CA 124.714 1.206 . . . . 0.0 113.947 170.137 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -75.71 -49.92 16.86 Favored 'General case' 0 C--N 1.37 1.476 0 CA-C-N 120.284 1.402 . . . . 0.0 112.753 171.314 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.463 ' CE2' ' CE1' ' A' ' 46' ' ' TYR . 23.3 t80 -60.58 -52.37 65.46 Favored 'General case' 0 C--N 1.375 1.707 0 C-N-CA 128.041 2.536 . . . . 0.0 112.876 179.27 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.554 HH11 ' HG ' ' A' ' 28' ' ' LEU 0.431 0.0 OUTLIER -70.49 -28.88 65.33 Favored 'General case' 0 C--N 1.358 0.952 0 N-CA-C 115.587 1.699 . . . . 0.0 115.587 -178.748 . . . . . . . . 4 4 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -71.31 -52.31 19.5 Favored 'General case' 0 C--N 1.363 1.156 0 N-CA-C 115.148 1.536 . . . . 0.0 115.148 171.655 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -76.55 -39.06 53.92 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 124.769 1.227 . . . . 0.0 112.879 -179.27 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -70.8 -42.38 70.39 Favored 'General case' 0 C--N 1.365 1.271 0 CA-C-O 116.348 -1.787 . . . . 0.0 112.146 174.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.649 HD11 HD13 ' A' ' 78' ' ' LEU . 14.6 mt -66.3 -38.81 88.6 Favored 'General case' 0 C--N 1.386 2.16 0 CA-C-N 123.31 2.777 . . . . 0.0 111.929 173.774 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -61.13 -51.74 67.8 Favored 'General case' 0 C--N 1.368 1.401 0 N-CA-C 114.629 1.344 . . . . 0.0 114.629 173.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.512 ' O ' ' HB2' ' A' ' 34' ' ' ARG . 4.4 tt -60.1 -42.61 95.04 Favored 'General case' 0 C--N 1.357 0.895 0 C-N-CA 128.281 2.633 . . . . 0.0 113.641 174.693 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.456 HD11 ' HB2' ' A' ' 92' ' ' TYR . 2.3 tt -59.13 -50.23 74.83 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 127.293 2.237 . . . . 0.0 113.336 170.444 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -64.95 -38.46 91.06 Favored 'General case' 0 C--N 1.365 1.275 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 175.606 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.572 ' HA ' ' HB3' ' A' ' 103' ' ' GLN 0.261 8.5 ptt-85 -73.72 -52.99 11.4 Favored 'General case' 0 CA--C 1.466 -2.262 0 CA-C-N 122.855 2.57 . . . . 0.0 115.46 170.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.512 ' HB2' ' O ' ' A' ' 30' ' ' LEU . 4.4 mmt85 -83.4 -30.91 26.99 Favored 'General case' 0 N--CA 1.425 -1.676 0 CA-C-N 112.797 -2.002 . . . . 0.0 115.164 -161.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -114.36 -23.15 9.53 Favored 'General case' 0 C--N 1.362 1.126 0 C-N-CA 124.05 0.94 . . . . 0.0 111.936 -174.517 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.91 -103.51 2.12 Favored Glycine 0 C--N 1.384 3.207 0 O-C-N 119.428 -2.045 . . . . 0.0 111.749 -177.365 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.7 p -147.81 108.72 4.22 Favored 'General case' 0 N--CA 1.444 -0.764 1 N-CA-C 98.407 -4.664 . . . . 0.0 98.407 165.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.1 ttmm -145.67 143.42 29.79 Favored 'General case' 0 CA--C 1.504 -0.799 0 C-N-CA 124.914 1.285 . . . . 0.0 108.784 -176.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.9 107.64 4.13 Favored 'General case' 0 CA--C 1.567 1.606 0 C-N-CA 125.07 1.348 . . . . 0.0 110.369 175.372 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.5 p -151.49 154.98 7.48 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.303 0 O-C-N 118.995 -2.316 . . . . 0.0 105.924 -170.146 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.614 ' HE2' ' H ' ' A' ' 88' ' ' TRP . 7.9 t-80 -76.45 139.75 40.99 Favored 'General case' 0 C--N 1.358 0.96 0 CA-C-N 120.148 1.34 . . . . 0.0 110.106 178.19 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.523 ' HB2' HD21 ' A' ' 66' ' ' LEU . 2.0 m120 -59.05 -29.64 67.46 Favored 'General case' 0 C--N 1.371 1.542 0 O-C-N 120.19 -1.569 . . . . 0.0 114.128 172.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.371 1.7 t30 -64.88 -29.13 70.07 Favored 'General case' 0 C--N 1.369 1.456 0 N-CA-C 115.513 1.672 . . . . 0.0 115.513 176.141 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.421 ' HA ' ' ND2' ' A' ' 47' ' ' ASN . 4.9 mt -76.58 -37.17 29.16 Favored 'Isoleucine or valine' 0 C--N 1.369 1.43 0 C-N-CA 127.705 2.402 . . . . 0.0 111.265 171.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.8 m -73.43 -36.62 48.91 Favored 'Isoleucine or valine' 0 C--N 1.362 1.122 0 O-C-N 121.002 -1.061 . . . . 0.0 110.164 174.025 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.463 ' CE1' ' CE2' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -64.53 -52.9 55.4 Favored 'General case' 0 C--N 1.387 2.21 0 C-N-CA 129.308 3.043 . . . . 0.0 110.016 175.471 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.421 ' ND2' ' HA ' ' A' ' 44' ' ' ILE . 4.3 p30 -62.04 -27.28 68.78 Favored 'General case' 0 C--N 1.376 1.726 0 C-N-CA 127.315 2.246 . . . . 0.0 113.884 175.668 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -76.35 -45.61 31.22 Favored 'General case' 0 C--N 1.367 1.331 0 C-N-CA 124.957 1.303 . . . . 0.0 111.524 174.3 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.529 ' CE2' HG23 ' A' ' 50' ' ' ILE . 1.4 t80 -61.35 -47.88 83.87 Favored 'General case' 0 C--N 1.358 0.97 0 C-N-CA 130.777 3.631 . . . . 0.0 114.265 175.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.529 HG23 ' CE2' ' A' ' 49' ' ' TYR . 6.0 pt -80.24 -5.13 7.99 Favored 'Isoleucine or valine' 0 C--N 1.354 0.792 0 N-CA-C 120.525 3.528 . . . . 0.0 120.525 -174.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.5 t -79.04 6.64 8.94 Favored 'General case' 0 CA--C 1.556 1.179 0 CA-C-N 119.36 0.982 . . . . 0.0 112.241 172.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -90.9 -154.35 0.35 Allowed 'General case' 0 CA--C 1.559 1.324 0 C-N-CA 131.574 3.95 . . . . 0.0 106.824 172.658 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.51 -42.43 64.82 Favored 'General case' 0 C--N 1.363 1.157 0 O-C-N 117.75 -3.094 . . . . 0.0 116.757 -179.538 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -62.08 12.45 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.108 1 C-N-CA 137.592 6.357 . . . . 0.0 121.287 -172.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . 0.293 0.8 OUTLIER -38.88 59.31 0.0 OUTLIER 'General case' 0 C--N 1.36 1.063 1 N-CA-C 122.294 4.183 . . . . 0.0 122.294 -173.182 . . . . . . . . 4 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.57 HG23 ' HB3' ' A' ' 60' ' ' ALA . 59.9 mt -96.97 111.58 27.2 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.865 1 C-N-CA 134.942 5.297 . . . . 0.0 107.778 178.361 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 19.9 t60 -94.98 -177.18 4.07 Favored 'General case' 0 C--N 1.347 0.48 0 CA-C-N 122.759 2.527 . . . . 0.0 109.799 177.251 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.499 ' HE3' HD12 ' A' ' 66' ' ' LEU . 2.7 tpp -53.49 -22.76 8.65 Favored 'General case' 0 N--CA 1.494 1.774 0 CA-C-O 125.039 2.352 . . . . 0.0 114.468 175.737 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -84.65 -8.97 58.68 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 129.574 3.15 . . . . 0.0 112.546 179.512 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.57 ' HB3' HG23 ' A' ' 56' ' ' ILE . . . -99.59 37.46 1.59 Allowed 'General case' 0 C--N 1.368 1.373 0 C-N-CA 127.019 2.127 . . . . 0.0 111.666 173.309 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . 0.303 2.7 t -162.98 163.63 26.03 Favored 'General case' 0 C--N 1.361 1.089 0 C-N-CA 125.543 1.537 . . . . 0.0 108.086 -175.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -75.52 0.18 18.15 Favored 'General case' 0 C--N 1.379 1.882 0 C-N-CA 129.052 2.941 . . . . 0.0 117.714 -172.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.435 ' CZ2' ' HE2' ' A' ' 16' ' ' MET . 3.3 m-90 -96.46 118.5 33.11 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 127.069 2.148 . . . . 0.0 105.88 178.597 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.403 ' H ' ' HG2' ' A' ' 64' ' ' GLU . 10.1 pt-20 -87.11 -8.89 56.56 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 120.859 1.663 . . . . 0.0 114.345 -178.476 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 27.6 p -134.23 153.88 51.59 Favored 'General case' 0 C--N 1.347 0.46 0 N-CA-C 105.365 -2.087 . . . . 0.0 105.365 -176.188 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.523 HD21 ' HB2' ' A' ' 42' ' ' ASN . 10.4 tp -65.37 -32.9 74.78 Favored 'General case' 0 C--N 1.372 1.544 0 C-N-CA 127.093 2.157 . . . . 0.0 112.094 179.291 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.48 HG23 ' CE2' ' A' ' 88' ' ' TRP . 52.6 m -57.32 -46.66 83.01 Favored 'General case' 0 C--N 1.358 0.938 1 C-N-CA 135.562 5.545 . . . . 0.0 113.858 175.472 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -72.0 -26.76 62.35 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 126.186 1.795 . . . . 0.0 115.414 178.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -70.48 -38.41 74.39 Favored 'General case' 0 C--N 1.356 0.856 0 C-N-CA 127.998 2.519 . . . . 0.0 110.206 170.421 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.607 ' HB ' HG21 ' A' ' 81' ' ' VAL . 0.7 OUTLIER -71.34 -34.08 70.19 Favored 'General case' 0 C--N 1.356 0.881 0 C-N-CA 126.483 1.913 . . . . 0.0 111.893 173.712 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 49.6 mmtt -64.38 -34.11 77.4 Favored 'General case' 0 C--N 1.377 1.761 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 169.465 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 85.0 t90 -80.79 -56.94 3.8 Favored 'General case' 0 C--N 1.366 1.304 0 C-N-CA 124.883 1.273 . . . . 0.0 113.488 175.157 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . 0.426 0.0 OUTLIER -64.55 -34.5 78.4 Favored 'General case' 0 C--N 1.365 1.248 0 C-N-CA 127.495 2.318 . . . . 0.0 116.947 -175.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -56.84 -27.83 56.67 Favored Glycine 0 C--N 1.362 1.974 0 C-N-CA 128.346 2.879 . . . . 0.0 115.175 166.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 70.6 mtp85 -83.66 -18.82 36.76 Favored 'General case' 0 C--N 1.364 1.21 0 N-CA-C 115.733 1.753 . . . . 0.0 115.733 178.667 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -85.91 -9.56 56.71 Favored 'General case' 0 C--N 1.354 0.766 0 C-N-CA 124.963 1.305 . . . . 0.0 114.367 -175.172 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.55 25.32 28.27 Favored Glycine 0 C--N 1.364 2.105 0 C-N-CA 123.471 0.558 . . . . 0.0 112.487 -179.032 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.649 HD13 HD11 ' A' ' 28' ' ' LEU . 0.3 OUTLIER -116.19 -5.18 11.87 Favored 'General case' 0 CA--C 1.5 -0.943 0 CA-C-O 124.066 1.889 . . . . 0.0 110.186 -179.362 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.752 ' SG ' HG23 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -154.53 145.97 23.06 Favored 'General case' 0 CA--C 1.473 -1.996 0 O-C-N 119.254 -2.154 . . . . 0.0 114.654 -178.229 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -115.13 142.68 46.33 Favored 'General case' 0 N--CA 1.424 -1.737 0 N-CA-C 104.563 -2.384 . . . . 0.0 104.563 166.047 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.752 HG23 ' SG ' ' A' ' 79' ' ' CYS . 0.2 OUTLIER -132.89 150.12 32.61 Favored 'Isoleucine or valine' 0 C--N 1.356 0.876 0 O-C-N 118.895 -2.378 . . . . 0.0 112.546 -170.289 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -148.61 154.47 39.76 Favored 'General case' 0 C--N 1.365 1.276 0 C-N-CA 124.623 1.169 . . . . 0.0 111.498 174.577 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -117.23 139.59 50.6 Favored 'General case' 0 C--N 1.367 1.339 0 O-C-N 119.886 -1.759 . . . . 0.0 110.672 178.133 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.445 ' HB ' ' CD ' ' A' ' 85' ' ' PRO . 43.1 p -118.08 176.36 1.67 Allowed Pre-proline 0 C--N 1.359 1.005 0 C-N-CA 129.399 3.08 . . . . 0.0 110.06 -179.647 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.445 ' CD ' ' HB ' ' A' ' 84' ' ' THR . 21.6 Cg_exo -68.81 -1.53 7.85 Favored 'Trans proline' 0 N--CA 1.44 -1.656 0 N-CA-C 118.349 2.403 . . . . 0.0 118.349 166.238 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -115.96 -6.38 12.0 Favored 'General case' 0 C--N 1.362 1.122 0 CA-C-N 120.936 1.698 . . . . 0.0 112.938 -179.067 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 155.91 -165.23 32.58 Favored Glycine 0 C--N 1.363 2.048 0 O-C-N 120.0 -1.688 . . . . 0.0 115.35 -177.25 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.614 ' H ' ' HE2' ' A' ' 41' ' ' HIS . 4.8 m95 -105.25 111.18 23.83 Favored 'General case' 0 C--N 1.363 1.187 0 C-N-CA 128.313 2.645 . . . . 0.0 110.777 176.451 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -107.33 140.08 40.8 Favored 'General case' 0 CA--C 1.499 -0.987 0 C-N-CA 127.562 2.345 . . . . 0.0 108.051 -174.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.5 pt -123.91 153.46 29.95 Favored 'Isoleucine or valine' 0 CA--C 1.476 -1.876 0 C-N-CA 127.041 2.137 . . . . 0.0 106.496 178.606 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -135.14 120.54 19.14 Favored 'General case' 0 N--CA 1.417 -2.079 1 N-CA-C 98.174 -4.75 . . . . 0.0 98.174 171.675 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.456 ' HB2' HD11 ' A' ' 31' ' ' LEU 0.54 0.1 OUTLIER -71.72 147.79 47.04 Favored 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 125.523 1.529 . . . . 0.0 111.263 -178.332 . . . . . . . . 4 4 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.5 mt -86.72 115.58 27.88 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.325 0 C-N-CA 126.701 2.0 . . . . 0.0 108.275 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . 0.323 5.7 p-10 -73.57 59.61 0.63 Allowed 'General case' 0 C--N 1.372 1.574 0 N-CA-C 116.935 2.198 . . . . 0.0 116.935 -174.527 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.573 ' HE ' ' HA ' ' A' ' 95' ' ' ARG 0.296 1.2 mmp_? 3.87 -96.2 0.0 OUTLIER 'General case' 0 C--N 1.353 0.759 1 C-N-CA 133.879 4.872 . . . . 0.0 117.738 171.444 . . . . . . . . 4 3 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -102.84 113.3 65.99 Favored Pre-proline 0 C--N 1.351 0.633 0 CA-C-O 113.555 -3.117 . . . . 0.0 103.333 158.116 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -56.37 -24.14 50.3 Favored 'Trans proline' 0 C--N 1.357 0.976 2 C-N-CA 127.034 5.156 . . . . 0.0 116.939 -170.363 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -64.74 -29.35 70.33 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 125.29 1.436 . . . . 0.0 113.424 169.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -64.74 -43.07 94.55 Favored 'General case' 0 C--N 1.365 1.246 0 O-C-N 119.052 -2.28 . . . . 0.0 110.374 173.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.401 HD12 ' H ' ' A' ' 100' ' ' ILE . 4.8 mp -72.14 -50.55 35.98 Favored 'Isoleucine or valine' 0 C--N 1.358 0.935 0 C-N-CA 130.129 3.372 . . . . 0.0 112.662 177.409 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 23.0 mmm180 -71.8 -27.19 62.77 Favored 'General case' 0 C--N 1.363 1.183 0 O-C-N 119.543 -1.973 . . . . 0.0 114.741 178.328 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.9 -34.59 44.58 Favored 'General case' 0 C--N 1.372 1.56 0 O-C-N 120.463 -1.398 . . . . 0.0 108.822 172.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.572 ' HB3' ' HA ' ' A' ' 33' ' ' ARG . 31.3 mt-30 -63.4 -34.29 77.42 Favored 'General case' 0 C--N 1.378 1.818 0 N-CA-C 115.289 1.589 . . . . 0.0 115.289 175.668 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.88 -53.84 5.83 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 124.554 1.142 . . . . 0.0 112.746 174.522 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 . . . . . 0 C--N 1.364 1.236 0 N-CA-C 119.612 3.19 . . . . 0.0 119.612 -173.137 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.1 tmt? . . . . . 0 N--CA 1.481 1.08 0 N-CA-C 113.85 1.056 . . . . 0.0 113.85 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -64.92 -49.83 68.88 Favored 'General case' 0 C--N 1.361 1.09 0 O-C-N 120.39 -1.444 . . . . 0.0 113.014 174.26 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -70.55 -52.15 23.66 Favored 'General case' 0 C--N 1.363 1.165 0 C-N-CA 126.996 2.118 . . . . 0.0 115.5 172.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.271 21.2 m-85 -73.59 -34.48 65.11 Favored 'General case' 0 C--N 1.371 1.502 0 O-C-N 121.033 -1.042 . . . . 0.0 113.195 -177.721 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . 0.311 1.7 t -71.15 -30.04 65.96 Favored 'General case' 0 C--N 1.374 1.634 0 O-C-N 120.683 -1.26 . . . . 0.0 111.847 170.81 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.433 ' O ' ' HB2' ' A' ' 25' ' ' ASN . 87.5 tt0 -69.98 -49.56 50.35 Favored 'General case' 0 C--N 1.372 1.569 0 CA-C-N 120.225 1.375 . . . . 0.0 113.026 170.399 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -72.33 -32.53 66.61 Favored 'General case' 0 C--N 1.371 1.529 0 CA-C-N 120.973 1.715 . . . . 0.0 114.619 177.496 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -73.09 -53.59 10.68 Favored 'General case' 0 C--N 1.374 1.644 0 O-C-N 120.394 -1.441 . . . . 0.0 111.305 170.516 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.345 0.0 OUTLIER -70.53 -31.24 68.22 Favored 'General case' 0 C--N 1.365 1.27 0 N-CA-C 116.139 1.903 . . . . 0.0 116.139 -178.633 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.433 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 3.0 m-80 -71.0 -50.98 28.23 Favored 'General case' 0 C--N 1.371 1.533 0 CA-C-N 121.481 1.946 . . . . 0.0 114.199 172.364 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -76.08 -35.9 59.19 Favored 'General case' 0 C--N 1.367 1.344 0 N-CA-C 114.074 1.139 . . . . 0.0 114.074 -178.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -68.29 -38.27 81.49 Favored 'General case' 0 C--N 1.374 1.644 0 C-N-CA 125.939 1.696 . . . . 0.0 111.158 174.304 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.08 -43.03 83.65 Favored 'General case' 0 C--N 1.382 2.021 0 C-N-CA 125.499 1.52 . . . . 0.0 109.109 172.794 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.08 -52.42 63.26 Favored 'General case' 0 C--N 1.356 0.871 0 N-CA-C 115.468 1.655 . . . . 0.0 115.468 172.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . 0.45 0.0 OUTLIER -72.54 -34.38 67.49 Favored 'General case' 0 C--N 1.374 1.663 0 N-CA-C 116.386 1.995 . . . . 0.0 116.386 173.944 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 tt -58.92 -51.06 71.67 Favored 'General case' 0 C--N 1.369 1.451 0 C-N-CA 128.914 2.886 . . . . 0.0 111.256 171.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.4 mtp180 -64.35 -45.77 86.36 Favored 'General case' 0 C--N 1.363 1.169 0 C-N-CA 127.828 2.451 . . . . 0.0 114.417 174.493 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . 0.38 2.0 ptp180 -72.46 -51.99 17.78 Favored 'General case' 0 C--N 1.375 1.704 0 N-CA-C 121.359 3.837 . . . . 0.0 121.359 170.016 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -83.2 -31.43 27.09 Favored 'General case' 0 C--N 1.349 0.562 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 -170.392 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -113.07 -33.77 5.92 Favored 'General case' 0 C--N 1.354 0.793 0 C-N-CA 125.234 1.414 . . . . 0.0 112.032 -174.405 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.72 -116.13 4.56 Favored Glycine 0 C--N 1.388 3.439 0 O-C-N 119.856 -1.777 . . . . 0.0 111.709 -167.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.4 p -126.43 108.51 11.26 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 101.083 -3.673 . . . . 0.0 101.083 170.238 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.6 ttmt -150.13 150.36 31.55 Favored 'General case' 0 CA--C 1.512 -0.511 0 C-N-CA 124.594 1.157 . . . . 0.0 108.756 179.105 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.29 107.76 5.07 Favored 'General case' 0 C--N 1.363 1.16 0 C-N-CA 126.345 1.858 . . . . 0.0 110.931 174.707 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.5 p -151.26 154.81 7.83 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.352 0 N-CA-C 104.966 -2.235 . . . . 0.0 104.966 -171.363 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.514 ' CE1' ' H ' ' A' ' 88' ' ' TRP . 12.0 t60 -85.24 134.74 34.13 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 126.471 1.908 . . . . 0.0 111.19 -177.009 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.463 ' HB2' HD21 ' A' ' 66' ' ' LEU 0.291 0.6 OUTLIER -57.65 -32.62 67.46 Favored 'General case' 0 C--N 1.379 1.85 0 N-CA-C 115.721 1.748 . . . . 0.0 115.721 -178.538 . . . . . . . . 4 4 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.564 ' O ' ' HB3' ' A' ' 47' ' ' ASN 0.267 10.3 m120 -63.0 -27.71 69.6 Favored 'General case' 0 C--N 1.371 1.516 0 CA-C-O 116.125 -1.893 . . . . 0.0 112.594 168.689 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.1 mt -76.74 -37.28 28.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 CA-C-N 124.634 3.379 . . . . 0.0 112.885 171.34 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.2 m -73.85 -40.38 53.13 Favored 'Isoleucine or valine' 0 C--N 1.361 1.071 0 C-N-CA 124.225 1.01 . . . . 0.0 111.744 174.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.98 -52.92 57.37 Favored 'General case' 0 C--N 1.394 2.525 0 C-N-CA 129.226 3.011 . . . . 0.0 107.442 173.018 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.564 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 0.1 OUTLIER -60.03 -26.79 66.38 Favored 'General case' 0 C--N 1.362 1.14 0 CA-C-N 121.675 2.034 . . . . 0.0 116.46 175.766 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -77.35 -50.07 13.57 Favored 'General case' 0 C--N 1.363 1.157 0 C-N-CA 124.175 0.99 . . . . 0.0 110.795 174.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -56.69 -40.05 74.89 Favored 'General case' 0 C--N 1.366 1.316 1 C-N-CA 132.222 4.209 . . . . 0.0 112.671 175.565 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.444 HG23 ' CE1' ' A' ' 55' ' ' HIS . 1.0 OUTLIER -58.05 -28.33 33.81 Favored 'Isoleucine or valine' 0 C--N 1.354 0.797 0 C-N-CA 131.087 3.755 . . . . 0.0 113.646 -175.532 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 94.7 p -81.76 -3.74 54.57 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 117.388 2.366 . . . . 0.0 117.388 -176.187 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -96.99 -141.83 0.29 Allowed 'General case' 0 C--N 1.363 1.18 0 C-N-CA 127.186 2.194 . . . . 0.0 111.847 -176.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.39 -43.11 42.04 Favored 'General case' 0 C--N 1.375 1.684 0 O-C-N 118.91 -2.369 . . . . 0.0 113.914 179.511 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -64.01 12.01 0.04 OUTLIER 'General case' 0 N--CA 1.44 -0.955 1 C-N-CA 139.461 7.104 . . . . 0.0 118.527 -174.629 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.444 ' CE1' HG23 ' A' ' 50' ' ' ILE . 15.0 t60 -54.73 72.8 0.0 OUTLIER 'General case' 0 C--N 1.361 1.071 0 C-N-CA 129.376 3.07 . . . . 0.0 117.929 -175.099 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.452 HG23 ' HB3' ' A' ' 60' ' ' ALA . 68.7 mt -103.17 141.19 19.51 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.084 1 C-N-CA 132.763 4.425 . . . . 0.0 105.016 176.906 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -107.84 161.21 15.11 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 106.565 -1.642 . . . . 0.0 106.565 170.381 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -51.52 -25.36 6.49 Favored 'General case' 0 N--CA 1.49 1.555 1 C-N-CA 132.584 4.353 . . . . 0.0 116.436 -177.066 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . 0.316 8.8 m120 -80.21 -20.52 44.49 Favored 'General case' 0 N--CA 1.427 -1.579 1 C-N-CA 134.679 5.191 . . . . 0.0 110.674 -174.602 . . . . . . . . 3 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.452 ' HB3' HG23 ' A' ' 56' ' ' ILE . . . -94.72 46.97 1.15 Allowed 'General case' 0 C--N 1.383 2.063 0 C-N-CA 128.026 2.53 . . . . 0.0 111.552 169.486 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.5 p -146.04 172.03 13.99 Favored 'General case' 0 C--N 1.353 0.738 0 N-CA-C 104.655 -2.35 . . . . 0.0 104.655 -176.656 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -92.14 1.72 57.03 Favored 'General case' 0 C--N 1.374 1.663 0 CA-C-O 124.472 2.082 . . . . 0.0 112.466 178.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 2.5 m-90 -94.27 108.59 20.47 Favored 'General case' 0 N--CA 1.439 -1.003 0 C-N-CA 127.969 2.508 . . . . 0.0 106.464 176.493 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -74.22 -12.58 60.61 Favored 'General case' 0 C--N 1.357 0.905 0 N-CA-C 115.694 1.739 . . . . 0.0 115.694 -177.659 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 38.8 p -138.85 155.9 47.75 Favored 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 104.477 -2.416 . . . . 0.0 104.477 -179.09 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.463 HD21 ' HB2' ' A' ' 42' ' ' ASN . 5.9 tp -64.98 -29.02 69.91 Favored 'General case' 0 C--N 1.368 1.373 0 C-N-CA 128.127 2.571 . . . . 0.0 112.62 176.605 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.551 HG23 ' CZ2' ' A' ' 88' ' ' TRP . 41.4 m -59.63 -43.72 93.74 Favored 'General case' 0 C--N 1.36 1.04 1 C-N-CA 135.773 5.629 . . . . 0.0 111.751 177.502 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.97 -26.35 62.22 Favored 'General case' 0 C--N 1.357 0.914 0 C-N-CA 126.83 2.052 . . . . 0.0 115.682 176.473 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -74.62 -37.63 62.76 Favored 'General case' 0 C--N 1.358 0.962 0 C-N-CA 127.385 2.274 . . . . 0.0 109.4 173.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.597 ' HB ' HG21 ' A' ' 81' ' ' VAL . 1.6 p -71.58 -34.45 69.93 Favored 'General case' 0 C--N 1.355 0.826 0 C-N-CA 126.959 2.103 . . . . 0.0 110.76 172.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.1 mmtt -62.9 -37.16 85.83 Favored 'General case' 0 C--N 1.375 1.691 0 N-CA-C 116.084 1.883 . . . . 0.0 116.084 167.196 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 90.7 t90 -80.83 -49.46 11.05 Favored 'General case' 0 C--N 1.368 1.403 0 C-N-CA 127.331 2.252 . . . . 0.0 113.948 178.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . 0.303 5.2 tp -65.39 -33.97 77.21 Favored 'General case' 0 C--N 1.351 0.668 0 C-N-CA 129.32 3.048 . . . . 0.0 113.084 178.4 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.417 ' HA2' ' O ' ' A' ' 79' ' ' CYS . . . -61.77 -30.9 76.29 Favored Glycine 0 C--N 1.375 2.705 0 C-N-CA 128.184 2.802 . . . . 0.0 115.978 160.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -84.02 -45.14 13.41 Favored 'General case' 0 C--N 1.36 1.05 0 C-N-CA 127.046 2.138 . . . . 0.0 115.367 177.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -68.08 -19.41 64.86 Favored 'General case' 0 C--N 1.364 1.209 0 C-N-CA 127.869 2.468 . . . . 0.0 113.823 -178.007 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.41 25.8 29.7 Favored Glycine 0 C--N 1.359 1.819 0 CA-C-N 115.909 -0.587 . . . . 0.0 114.019 176.698 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.9 mt -97.34 -37.98 9.82 Favored 'General case' 0 C--N 1.365 1.281 0 CA-C-N 118.745 1.273 . . . . 0.0 110.042 173.078 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.467 ' HA ' ' HA ' ' A' ' 92' ' ' TYR . 25.8 m -133.84 149.79 51.38 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 121.362 1.892 . . . . 0.0 115.301 178.448 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -106.93 117.17 33.35 Favored 'General case' 0 C--N 1.366 1.305 0 C-N-CA 125.082 1.353 . . . . 0.0 111.64 175.557 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.598 HG22 HG22 ' A' ' 90' ' ' ILE . 0.6 OUTLIER -99.78 154.09 4.33 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.82 0 N-CA-C 117.727 2.491 . . . . 0.0 117.727 -172.122 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -147.89 150.42 34.06 Favored 'General case' 0 C--N 1.355 0.83 0 CA-C-N 111.659 -2.519 . . . . 0.0 110.336 174.485 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 70.4 tt0 -117.96 139.05 51.71 Favored 'General case' 0 C--N 1.368 1.386 0 O-C-N 120.21 -1.556 . . . . 0.0 109.754 175.051 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.419 ' HB ' ' CD ' ' A' ' 85' ' ' PRO . 60.2 p -121.31 175.53 2.39 Favored Pre-proline 0 CA--C 1.499 -0.994 0 C-N-CA 130.323 3.449 . . . . 0.0 111.047 -174.527 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.419 ' CD ' ' HB ' ' A' ' 84' ' ' THR . 23.8 Cg_exo -66.97 -8.39 21.52 Favored 'Trans proline' 0 N--CA 1.443 -1.446 0 N-CA-C 118.308 2.388 . . . . 0.0 118.308 166.315 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -109.41 -6.32 15.5 Favored 'General case' 0 C--N 1.363 1.162 0 CA-C-N 120.325 1.42 . . . . 0.0 112.75 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 143.3 -164.84 27.21 Favored Glycine 0 C--N 1.36 1.876 0 CA-C-O 122.405 1.003 . . . . 0.0 115.311 -177.129 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.551 ' CZ2' HG23 ' A' ' 67' ' ' THR . 26.4 m95 -95.52 112.08 23.86 Favored 'General case' 0 C--N 1.366 1.304 0 C-N-CA 131.566 3.946 . . . . 0.0 110.896 179.286 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -116.84 138.2 51.68 Favored 'General case' 0 C--N 1.36 1.024 0 C-N-CA 125.421 1.489 . . . . 0.0 107.303 -178.554 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.598 HG22 HG22 ' A' ' 81' ' ' VAL . 4.8 pt -120.28 136.87 55.95 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.359 0 C-N-CA 128.86 2.864 . . . . 0.0 105.619 -178.107 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . 0.283 15.9 pt20 -121.91 114.33 20.86 Favored 'General case' 0 N--CA 1.436 -1.152 0 N-CA-C 103.285 -2.857 . . . . 0.0 103.285 171.661 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.467 ' HA ' ' HA ' ' A' ' 79' ' ' CYS 0.492 24.8 t80 -58.92 147.8 32.72 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 129.034 2.934 . . . . 0.0 114.557 -175.593 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.1 mt -90.44 111.69 23.8 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.585 1 C-N-CA 132.022 4.129 . . . . 0.0 104.28 178.674 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . 0.305 3.7 p-10 -74.99 95.92 3.09 Favored 'General case' 0 C--N 1.367 1.358 0 CA-C-O 122.644 1.212 . . . . 0.0 113.573 -176.583 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . 0.291 3.7 mmp_? -51.06 -91.86 0.0 OUTLIER 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 131.256 3.822 . . . . 0.0 115.62 -178.073 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -102.24 111.27 64.25 Favored Pre-proline 0 N--CA 1.448 -0.556 0 CA-C-O 115.357 -2.258 . . . . 0.0 105.831 163.504 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -59.63 -26.38 81.92 Favored 'Trans proline' 0 C--N 1.355 0.869 1 C-N-CA 126.529 4.819 . . . . 0.0 115.433 -178.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -67.33 -23.52 65.63 Favored 'General case' 0 C--N 1.361 1.103 0 C-N-CA 127.034 2.133 . . . . 0.0 111.215 169.22 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -76.22 -44.24 38.5 Favored 'General case' 0 C--N 1.365 1.282 0 O-C-N 119.213 -2.179 . . . . 0.0 110.048 170.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 49.3 mt -66.18 -50.1 71.17 Favored 'Isoleucine or valine' 0 C--N 1.36 1.06 0 C-N-CA 129.339 3.056 . . . . 0.0 111.344 179.243 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 71.9 mtt85 -70.22 -23.37 62.92 Favored 'General case' 0 C--N 1.361 1.09 0 O-C-N 118.571 -2.581 . . . . 0.0 114.082 174.748 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -78.97 -37.6 39.08 Favored 'General case' 0 C--N 1.373 1.63 0 C-N-CA 125.183 1.393 . . . . 0.0 111.195 171.184 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . 0.443 36.8 mt-30 -58.64 -46.83 86.27 Favored 'General case' 0 C--N 1.37 1.462 0 C-N-CA 128.519 2.728 . . . . 0.0 112.935 171.522 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -81.42 -49.63 10.42 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 115.447 1.647 . . . . 0.0 115.447 175.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 . . . . . 0 C--N 1.363 1.157 0 N-CA-C 117.939 2.57 . . . . 0.0 117.939 -172.517 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.476 0.856 0 CA-C-O 121.789 0.804 . . . . 0.0 111.412 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -73.87 -41.99 61.41 Favored 'General case' 0 C--N 1.365 1.255 0 O-C-N 119.823 -1.798 . . . . 0.0 112.218 171.378 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -71.4 -53.86 12.63 Favored 'General case' 0 C--N 1.363 1.185 0 N-CA-C 115.745 1.758 . . . . 0.0 115.745 171.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.253 23.6 m-85 -74.59 -43.75 54.06 Favored 'General case' 0 C--N 1.371 1.532 0 O-C-N 120.014 -1.679 . . . . 0.0 115.362 -178.481 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . 0.396 3.9 t -69.08 -29.33 67.41 Favored 'General case' 0 C--N 1.371 1.507 0 N-CA-C 115.714 1.746 . . . . 0.0 115.714 176.322 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -69.82 -38.17 76.47 Favored 'General case' 0 C--N 1.37 1.477 0 C-N-CA 125.526 1.531 . . . . 0.0 111.306 173.539 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -74.86 -49.56 20.05 Favored 'General case' 0 C--N 1.366 1.304 0 C-N-CA 125.046 1.338 . . . . 0.0 113.244 170.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.419 ' CE1' ' CE2' ' A' ' 46' ' ' TYR 0.264 44.0 t80 -63.13 -48.27 79.22 Favored 'General case' 0 C--N 1.367 1.369 0 C-N-CA 126.362 1.865 . . . . 0.0 113.458 179.138 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.627 ' NE ' HD12 ' A' ' 73' ' ' LEU 0.303 1.0 OUTLIER -69.21 -29.21 67.12 Favored 'General case' 0 C--N 1.371 1.505 0 CA-C-N 123.402 2.819 . . . . 0.0 113.743 174.031 . . . . . . . . 4 4 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -68.06 -51.38 47.32 Favored 'General case' 0 C--N 1.368 1.406 0 CA-C-N 121.451 1.932 . . . . 0.0 114.363 170.619 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.427 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 65.0 m-20 -70.51 -38.44 74.29 Favored 'General case' 0 C--N 1.356 0.873 0 N-CA-C 114.615 1.339 . . . . 0.0 114.615 178.159 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -67.56 -47.9 68.51 Favored 'General case' 0 C--N 1.37 1.49 0 C-N-CA 128.29 2.636 . . . . 0.0 111.408 173.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.469 ' HB2' ' O ' ' A' ' 24' ' ' ARG 0.301 15.5 mt -66.51 -34.78 78.68 Favored 'General case' 0 C--N 1.38 1.926 0 CA-C-O 117.092 -1.433 . . . . 0.0 113.016 173.17 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -58.98 -53.98 52.31 Favored 'General case' 0 C--N 1.375 1.68 0 CA-C-N 121.572 1.987 . . . . 0.0 113.37 168.068 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.427 ' HB2' ' O ' ' A' ' 26' ' ' ASP . 2.7 tp -57.03 -37.93 72.44 Favored 'General case' 0 C--N 1.359 1.001 0 C-N-CA 128.013 2.525 . . . . 0.0 114.602 176.142 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.7 tt -67.7 -54.23 21.14 Favored 'General case' 0 C--N 1.37 1.493 0 C-N-CA 131.24 3.816 . . . . 0.0 111.32 175.002 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 34.0 mtp180 -66.13 -45.73 80.0 Favored 'General case' 0 C--N 1.357 0.919 0 C-N-CA 128.215 2.606 . . . . 0.0 116.45 177.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.533 ' HA ' ' HB3' ' A' ' 103' ' ' GLN 0.289 5.0 ptt180 -72.08 -51.21 22.61 Favored 'General case' 0 CA--C 1.472 -2.053 0 N-CA-C 117.248 2.314 . . . . 0.0 117.248 170.092 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -82.56 -32.93 28.28 Favored 'General case' 0 N--CA 1.438 -1.044 0 C-N-CA 118.268 -1.373 . . . . 0.0 114.178 -167.353 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -111.33 -40.56 4.37 Favored 'General case' 0 C--N 1.358 0.956 0 C-N-CA 125.693 1.597 . . . . 0.0 111.595 -174.218 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.408 ' HA2' HG23 ' A' ' 100' ' ' ILE . . . 78.31 -107.92 2.55 Favored Glycine 0 C--N 1.377 2.859 0 C-N-CA 127.861 2.648 . . . . 0.0 111.141 -168.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.8 p -124.56 108.29 11.93 Favored 'General case' 0 N--CA 1.442 -0.866 0 N-CA-C 104.053 -2.573 . . . . 0.0 104.053 171.308 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -147.8 150.3 33.96 Favored 'General case' 0 CA--C 1.509 -0.603 0 C-N-CA 125.48 1.512 . . . . 0.0 108.718 176.67 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.96 107.4 7.01 Favored 'General case' 0 C--N 1.366 1.319 0 CA-C-O 123.38 1.562 . . . . 0.0 110.25 172.13 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.4 p -147.95 144.85 19.05 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.896 0 N-CA-C 106.228 -1.767 . . . . 0.0 106.228 -172.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 65.3 t-80 -75.07 131.93 40.92 Favored 'General case' 0 C--N 1.357 0.933 0 C-N-CA 127.065 2.146 . . . . 0.0 111.627 -178.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.582 ' HB2' HD11 ' A' ' 66' ' ' LEU . 4.2 m120 -53.64 -39.69 65.22 Favored 'General case' 0 C--N 1.377 1.8 0 N-CA-C 115.539 1.681 . . . . 0.0 115.539 -176.788 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.261 36.0 m120 -58.06 -26.9 63.1 Favored 'General case' 0 C--N 1.365 1.26 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 172.525 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 6.9 mt -76.39 -42.49 36.24 Favored 'Isoleucine or valine' 0 C--N 1.369 1.43 0 C-N-CA 127.029 2.132 . . . . 0.0 112.019 172.369 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.1 m -73.32 -31.53 34.18 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.245 0 O-C-N 121.097 -1.002 . . . . 0.0 110.822 173.682 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.419 ' CE2' ' CE1' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -66.24 -53.22 39.65 Favored 'General case' 0 C--N 1.388 2.265 0 C-N-CA 128.261 2.624 . . . . 0.0 110.571 172.659 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.72 -28.31 69.8 Favored 'General case' 0 C--N 1.386 2.19 0 C-N-CA 125.188 1.395 . . . . 0.0 113.534 177.701 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.62 -41.53 45.64 Favored 'General case' 0 C--N 1.368 1.404 0 CA-C-N 114.641 -1.163 . . . . 0.0 110.799 179.264 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.54 ' CE1' HG23 ' A' ' 50' ' ' ILE . 1.5 t80 -64.11 -52.44 59.17 Favored 'General case' 0 C--N 1.367 1.341 0 C-N-CA 129.971 3.308 . . . . 0.0 112.023 172.855 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.54 HG23 ' CE1' ' A' ' 49' ' ' TYR . 2.9 pt -77.55 -17.55 14.21 Favored 'Isoleucine or valine' 0 C--N 1.357 0.909 0 N-CA-C 118.436 2.754 . . . . 0.0 118.436 -177.191 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.0 t -78.89 55.99 1.84 Allowed 'General case' 0 CA--C 1.564 1.516 0 O-C-N 120.28 -1.513 . . . . 0.0 110.318 171.298 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 49.5 m-70 -154.59 -170.01 3.39 Favored 'General case' 0 CA--C 1.545 0.787 2 C-N-CA 133.976 4.91 . . . . 0.0 99.656 -174.579 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.7 -40.38 96.96 Favored 'General case' 0 C--N 1.367 1.342 0 O-C-N 118.313 -2.742 . . . . 0.0 117.733 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -61.4 12.76 0.01 OUTLIER 'General case' 0 N--CA 1.444 -0.755 2 C-N-CA 136.167 5.787 . . . . 0.0 122.305 -170.261 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . 0.326 2.6 t60 -35.95 56.21 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.893 1 N-CA-C 124.577 5.028 . . . . 0.0 124.577 -175.606 . . . . . . . . 3 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.513 HG23 ' HB3' ' A' ' 60' ' ' ALA . 96.7 mt -91.34 104.39 15.44 Favored 'Isoleucine or valine' 0 C--N 1.355 0.84 0 C-N-CA 131.672 3.989 . . . . 0.0 106.798 172.278 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -91.73 -176.54 4.5 Favored 'General case' 0 CA--C 1.518 -0.272 0 O-C-N 120.368 -1.458 . . . . 0.0 109.795 -179.187 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.5 ' CE ' HD12 ' A' ' 66' ' ' LEU . 12.3 tpp -62.38 -10.15 10.45 Favored 'General case' 0 C--N 1.378 1.838 0 O-C-N 118.695 -2.503 . . . . 0.0 114.122 174.305 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -86.04 -1.94 57.84 Favored 'General case' 0 N--CA 1.424 -1.755 1 C-N-CA 133.438 4.695 . . . . 0.0 112.794 178.124 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.513 ' HB3' HG23 ' A' ' 56' ' ' ILE . . . -117.4 20.3 13.66 Favored 'General case' 0 C--N 1.368 1.398 0 C-N-CA 126.66 1.984 . . . . 0.0 113.19 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . 0.29 4.7 t -148.41 172.26 14.72 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.846 1.258 . . . . 0.0 110.295 -177.159 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -80.73 -1.27 42.02 Favored 'General case' 0 C--N 1.374 1.65 0 N-CA-C 117.153 2.279 . . . . 0.0 117.153 -173.334 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 1.5 m-90 -99.45 108.82 21.38 Favored 'General case' 0 C--N 1.353 0.733 0 C-N-CA 127.421 2.288 . . . . 0.0 106.127 176.506 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -79.03 -37.68 38.48 Favored 'General case' 0 C--N 1.36 1.038 0 CA-C-O 122.991 1.376 . . . . 0.0 112.367 -177.452 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 78.4 p -103.24 167.63 9.7 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 125.624 1.57 . . . . 0.0 107.288 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.582 HD11 ' HB2' ' A' ' 42' ' ' ASN . 9.9 tp -71.44 -34.63 70.43 Favored 'General case' 0 C--N 1.364 1.232 0 O-C-N 120.177 -1.577 . . . . 0.0 112.588 176.414 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.452 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 26.1 m -57.31 -38.76 74.52 Favored 'General case' 0 C--N 1.359 0.985 0 C-N-CA 131.526 3.93 . . . . 0.0 111.894 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -72.09 -30.49 65.15 Favored 'General case' 0 C--N 1.363 1.155 0 N-CA-C 115.658 1.725 . . . . 0.0 115.658 174.64 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.564 ' CZ ' HD13 ' A' ' 73' ' ' LEU . 7.3 t80 -73.19 -35.11 66.32 Favored 'General case' 0 C--N 1.373 1.609 0 C-N-CA 124.799 1.24 . . . . 0.0 110.019 172.339 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . 0.361 0.7 OUTLIER -71.78 -34.35 69.35 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 125.978 1.711 . . . . 0.0 112.885 177.149 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' A' ' 67' ' ' THR . 0.0 OUTLIER -62.15 -45.19 94.52 Favored 'General case' 0 C--N 1.374 1.668 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 167.184 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 79.8 t90 -76.14 -48.54 20.22 Favored 'General case' 0 C--N 1.366 1.308 0 C-N-CA 125.384 1.473 . . . . 0.0 112.461 -177.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.627 HD12 ' NE ' ' A' ' 24' ' ' ARG 0.598 0.2 OUTLIER -65.67 -34.08 77.39 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 128.678 2.791 . . . . 0.0 116.652 177.754 . . . . . . . . 4 4 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -59.47 -28.05 64.32 Favored Glycine 0 C--N 1.342 0.881 0 C-N-CA 129.041 3.21 . . . . 0.0 117.207 163.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -82.26 -39.9 22.33 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 126.831 2.053 . . . . 0.0 116.361 -176.607 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -76.16 -17.88 59.36 Favored 'General case' 0 C--N 1.356 0.881 0 C-N-CA 126.173 1.789 . . . . 0.0 114.905 -172.169 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.58 23.71 45.78 Favored Glycine 0 C--N 1.354 1.582 0 C-N-CA 120.305 -0.95 . . . . 0.0 115.129 179.029 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.551 ' HB2' ' NH2' ' A' ' 24' ' ' ARG . 0.5 OUTLIER -102.28 -33.15 9.71 Favored 'General case' 0 C--O 1.211 -0.929 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 171.519 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 92' ' ' TYR . 5.0 m -136.72 138.34 40.89 Favored 'General case' 0 C--N 1.36 1.047 0 CA-C-N 122.46 2.391 . . . . 0.0 115.909 178.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -107.18 123.39 48.2 Favored 'General case' 0 C--N 1.37 1.475 0 CA-C-N 120.313 1.415 . . . . 0.0 111.998 178.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.568 HG22 HG22 ' A' ' 90' ' ' ILE . 0.2 OUTLIER -99.58 156.84 3.91 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.123 0 O-C-N 118.82 -2.425 . . . . 0.0 116.955 -170.963 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -145.71 149.37 34.31 Favored 'General case' 0 C--N 1.358 0.948 0 CA-C-N 111.953 -2.385 . . . . 0.0 109.395 177.372 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -121.07 139.51 53.22 Favored 'General case' 0 C--N 1.365 1.263 0 O-C-N 120.224 -1.548 . . . . 0.0 110.313 177.359 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.441 ' HB ' ' CD ' ' A' ' 85' ' ' PRO . 33.3 p -120.33 176.22 1.93 Allowed Pre-proline 0 CA--C 1.497 -1.069 0 C-N-CA 129.903 3.281 . . . . 0.0 109.511 -178.647 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.441 ' CD ' ' HB ' ' A' ' 84' ' ' THR . 19.6 Cg_exo -69.16 -3.69 12.11 Favored 'Trans proline' 0 N--CA 1.44 -1.629 0 N-CA-C 118.297 2.383 . . . . 0.0 118.297 166.041 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -111.89 -6.33 14.26 Favored 'General case' 0 C--N 1.364 1.214 0 CA-C-N 120.634 1.561 . . . . 0.0 112.684 -177.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 152.27 -162.97 30.07 Favored Glycine 0 C--N 1.362 2.003 0 O-C-N 120.716 -1.24 . . . . 0.0 114.98 -176.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 19.0 m95 -109.4 115.26 29.62 Favored 'General case' 0 C--N 1.359 1.016 0 C-N-CA 127.311 2.244 . . . . 0.0 109.525 177.245 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -107.93 143.2 36.9 Favored 'General case' 0 C--N 1.362 1.113 0 C-N-CA 128.282 2.633 . . . . 0.0 107.491 -177.036 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.568 HG22 HG22 ' A' ' 81' ' ' VAL . 8.6 pt -125.93 137.41 57.8 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.057 0 N-CA-C 105.973 -1.862 . . . . 0.0 105.973 -179.598 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . 0.288 16.4 pt20 -119.7 111.39 17.97 Favored 'General case' 0 N--CA 1.427 -1.585 0 N-CA-C 103.679 -2.712 . . . . 0.0 103.679 171.789 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.409 ' HA ' ' HA ' ' A' ' 79' ' ' CYS 0.503 19.7 t80 -59.43 147.99 34.42 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 127.993 2.517 . . . . 0.0 114.829 -175.812 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.9 mt -90.92 115.38 30.01 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.059 0 C-N-CA 130.666 3.586 . . . . 0.0 102.5 177.468 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . 0.266 1.2 p30 -63.48 -9.36 12.45 Favored 'General case' 0 C--N 1.355 0.824 0 N-CA-C 121.48 3.882 . . . . 0.0 121.48 -169.778 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . 0.312 28.6 mmm180 65.48 -101.01 0.07 Allowed 'General case' 0 C--N 1.347 0.484 0 C-N-CA 129.328 3.051 . . . . 0.0 110.752 177.519 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -103.34 107.5 55.95 Favored Pre-proline 0 CA--C 1.519 -0.238 0 CA-C-O 113.709 -3.043 . . . . 0.0 105.941 159.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.83 -15.11 30.54 Favored 'Trans proline' 0 C--N 1.357 1.011 1 CA-C-N 128.493 4.069 . . . . 0.0 118.043 -176.223 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -66.5 -25.78 66.85 Favored 'General case' 0 C--N 1.367 1.347 0 CA-C-N 120.362 1.437 . . . . 0.0 109.815 167.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -60.99 -36.4 79.35 Favored 'General case' 0 C--N 1.372 1.583 0 O-C-N 119.639 -1.913 . . . . 0.0 113.217 171.661 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.408 HG23 ' HA2' ' A' ' 36' ' ' GLY . 5.7 mm -73.9 -50.5 28.6 Favored 'Isoleucine or valine' 0 C--N 1.366 1.295 0 C-N-CA 130.824 3.65 . . . . 0.0 110.755 177.361 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -70.23 -40.28 74.57 Favored 'General case' 0 C--N 1.36 1.051 0 C-N-CA 126.816 2.047 . . . . 0.0 110.89 -177.568 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 -69.62 -25.77 64.11 Favored 'General case' 0 C--N 1.371 1.519 0 O-C-N 120.524 -1.36 . . . . 0.0 111.36 169.169 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.533 ' HB3' ' HA ' ' A' ' 33' ' ' ARG 0.418 51.4 mt-30 -72.99 -43.24 62.41 Favored 'General case' 0 C--N 1.367 1.344 0 N-CA-C 116.692 2.108 . . . . 0.0 116.692 172.079 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.21 -40.91 23.12 Favored 'General case' 0 C--N 1.351 0.662 0 O-C-N 119.928 -1.732 . . . . 0.0 112.671 178.123 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 78.1 mt-10 . . . . . 0 C--N 1.364 1.196 0 N-CA-C 117.021 2.23 . . . . 0.0 117.021 -175.809 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 7.2 tpt . . . . . 0 CA--C 1.495 -1.16 0 CA-C-O 121.598 0.714 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -52.04 -44.78 64.38 Favored 'General case' 0 C--N 1.363 1.16 0 C-N-CA 128.585 2.754 . . . . 0.0 115.226 176.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -69.79 -51.97 29.25 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 125.167 1.387 . . . . 0.0 113.913 174.309 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -70.93 -37.12 72.89 Favored 'General case' 0 C--N 1.366 1.307 0 C-N-CA 125.232 1.413 . . . . 0.0 113.378 -178.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . 0.307 88.3 p -72.57 -31.71 65.46 Favored 'General case' 0 C--N 1.369 1.423 0 C-N-CA 124.841 1.256 . . . . 0.0 112.933 172.041 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -70.92 -48.71 52.11 Favored 'General case' 0 C--N 1.369 1.423 0 CA-C-N 121.01 1.732 . . . . 0.0 113.482 168.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -63.47 -41.54 98.59 Favored 'General case' 0 C--N 1.379 1.888 0 C-N-CA 125.801 1.64 . . . . 0.0 113.676 178.667 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.401 ' CZ ' ' CE1' ' A' ' 46' ' ' TYR . 21.3 t80 -73.39 -52.72 12.79 Favored 'General case' 0 C--N 1.358 0.953 0 C-N-CA 124.45 1.1 . . . . 0.0 113.005 169.159 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.508 HH11 HD12 ' A' ' 28' ' ' LEU . 16.5 ttp85 -66.97 -43.93 81.81 Favored 'General case' 0 C--N 1.363 1.196 0 CA-C-N 123.26 2.754 . . . . 0.0 116.076 -177.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -60.02 -49.92 75.75 Favored 'General case' 0 C--N 1.371 1.507 0 CA-C-N 122.458 2.39 . . . . 0.0 114.798 176.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -76.5 -34.07 58.62 Favored 'General case' 0 C--N 1.362 1.12 0 C-N-CA 127.476 2.31 . . . . 0.0 115.382 176.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -71.81 -42.49 66.96 Favored 'General case' 0 C--N 1.366 1.321 0 C-N-CA 125.406 1.483 . . . . 0.0 111.006 173.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.508 HD12 HH11 ' A' ' 24' ' ' ARG . 9.3 mt -67.08 -38.79 86.36 Favored 'General case' 0 C--N 1.379 1.871 0 C-N-CA 126.418 1.887 . . . . 0.0 111.726 178.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.09 -51.62 65.81 Favored 'General case' 0 C--N 1.359 0.994 0 C-N-CA 129.393 3.077 . . . . 0.0 113.004 172.558 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -76.2 -34.42 59.28 Favored 'General case' 0 C--N 1.363 1.194 0 C-N-CA 128.161 2.584 . . . . 0.0 114.538 178.094 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 tt -60.08 -50.74 72.51 Favored 'General case' 0 C--N 1.368 1.37 0 C-N-CA 131.091 3.756 . . . . 0.0 109.657 173.133 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.0 mtp180 -61.0 -44.03 98.01 Favored 'General case' 0 C--N 1.366 1.324 0 C-N-CA 128.311 2.645 . . . . 0.0 115.462 170.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.404 ' HA ' ' HB3' ' A' ' 103' ' ' GLN 0.38 1.7 ptp85 -73.29 -53.73 10.12 Favored 'General case' 0 C--N 1.38 1.924 0 N-CA-C 118.644 2.831 . . . . 0.0 118.644 170.001 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 24.6 mmt85 -82.48 -31.01 29.55 Favored 'General case' 0 C--N 1.353 0.728 0 N-CA-C 113.977 1.103 . . . . 0.0 113.977 -165.213 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -111.71 -35.34 5.78 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.494 1.518 . . . . 0.0 110.378 -177.424 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.44 -100.2 1.78 Allowed Glycine 0 C--N 1.387 3.371 0 C-N-CA 127.783 2.611 . . . . 0.0 109.327 -173.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.435 HG22 ' CD1' ' A' ' 92' ' ' TYR . 23.6 p -134.26 108.02 8.0 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 100.574 -3.862 . . . . 0.0 100.574 166.368 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.8 ttmt -150.0 142.58 24.49 Favored 'General case' 0 CA--C 1.501 -0.941 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.099 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.33 109.68 4.85 Favored 'General case' 0 C--N 1.354 0.783 0 C-N-CA 126.941 2.096 . . . . 0.0 112.452 173.498 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.4 p -150.56 155.18 7.75 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.083 0 N-CA-C 104.686 -2.339 . . . . 0.0 104.686 -173.258 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -86.54 132.73 33.84 Favored 'General case' 0 C--N 1.369 1.421 0 CA-C-O 125.488 2.566 . . . . 0.0 108.913 177.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.4 ' CG ' HD21 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -53.88 -30.9 47.83 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 128.144 2.578 . . . . 0.0 116.59 -178.539 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.01 -27.59 66.69 Favored 'General case' 0 C--N 1.358 0.937 0 C-N-CA 126.111 1.765 . . . . 0.0 110.812 176.788 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.8 mt -74.57 -44.51 47.05 Favored 'Isoleucine or valine' 0 C--N 1.369 1.442 0 O-C-N 120.226 -1.546 . . . . 0.0 110.734 169.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . 0.252 1.9 m -70.44 -36.05 64.75 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.325 0 C-N-CA 126.22 1.808 . . . . 0.0 113.987 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.401 ' CE1' ' CZ ' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -62.56 -50.92 69.4 Favored 'General case' 0 C--N 1.384 2.084 0 C-N-CA 129.111 2.964 . . . . 0.0 111.199 173.504 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -63.51 -27.17 69.08 Favored 'General case' 0 C--N 1.358 0.963 0 C-N-CA 129.507 3.123 . . . . 0.0 112.619 175.114 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -78.25 -38.08 43.67 Favored 'General case' 0 C--N 1.361 1.072 0 C-N-CA 124.524 1.13 . . . . 0.0 112.574 172.5 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.436 ' CE1' HG23 ' A' ' 50' ' ' ILE . 0.6 OUTLIER -65.58 -45.84 81.71 Favored 'General case' 0 C--N 1.359 1.006 0 C-N-CA 129.954 3.302 . . . . 0.0 113.927 175.336 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.537 HG22 ' HA ' ' A' ' 55' ' ' HIS . 2.6 pt -77.14 -20.6 14.36 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.751 0 N-CA-C 120.198 3.407 . . . . 0.0 120.198 -175.206 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.2 t -74.01 50.24 0.36 Allowed 'General case' 0 CA--C 1.565 1.547 0 O-C-N 119.75 -1.844 . . . . 0.0 112.977 176.743 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 -150.95 -162.74 1.61 Allowed 'General case' 0 N--CA 1.442 -0.841 1 C-N-CA 133.47 4.708 . . . . 0.0 104.159 -169.72 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.72 -37.47 76.53 Favored 'General case' 0 C--N 1.369 1.431 0 N-CA-C 116.116 1.895 . . . . 0.0 116.116 176.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -69.19 11.47 0.22 Allowed 'General case' 0 CA--C 1.502 -0.88 1 C-N-CA 133.614 4.766 . . . . 0.0 120.208 -168.784 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.537 ' HA ' HG22 ' A' ' 50' ' ' ILE 0.323 47.4 t60 -43.11 92.9 0.01 OUTLIER 'General case' 0 C--N 1.361 1.07 0 N-CA-C 119.253 3.057 . . . . 0.0 119.253 -178.67 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.451 ' O ' HG21 ' A' ' 50' ' ' ILE . 76.7 mt -124.63 152.54 30.79 Favored 'Isoleucine or valine' 0 C--N 1.354 0.783 1 C-N-CA 131.913 4.085 . . . . 0.0 106.242 179.586 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -114.82 149.47 37.0 Favored 'General case' 0 C--N 1.347 0.469 0 N-CA-C 103.746 -2.687 . . . . 0.0 103.746 168.157 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -51.76 -22.28 3.45 Favored 'General case' 0 C--N 1.378 1.819 0 N-CA-C 118.245 2.683 . . . . 0.0 118.245 -176.674 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -69.6 -22.1 63.53 Favored 'General case' 0 N--CA 1.428 -1.557 1 C-N-CA 132.737 4.415 . . . . 0.0 111.118 -178.344 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -80.18 30.94 0.27 Allowed 'General case' 0 C--N 1.384 2.108 0 C-N-CA 127.655 2.382 . . . . 0.0 116.391 173.102 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.45 HG21 ' CZ3' ' A' ' 63' ' ' TRP . 30.8 p -129.26 -154.23 0.62 Allowed 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 126.483 1.913 . . . . 0.0 111.893 -171.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -116.68 10.01 14.22 Favored 'General case' 0 C--N 1.373 1.59 0 CA-C-O 124.06 1.886 . . . . 0.0 109.769 171.621 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.45 ' CZ3' HG21 ' A' ' 61' ' ' THR . 3.0 m0 -98.4 106.18 18.42 Favored 'General case' 0 N--CA 1.435 -1.221 0 C-N-CA 128.323 2.649 . . . . 0.0 105.656 178.186 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -77.34 -7.26 55.76 Favored 'General case' 0 C--N 1.364 1.236 0 C-N-CA 127.436 2.295 . . . . 0.0 114.921 -175.543 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.1 t -163.46 161.08 24.03 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 100.233 -3.988 . . . . 0.0 100.233 -178.213 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.4 HD21 ' CG ' ' A' ' 42' ' ' ASN . 4.3 tp -56.92 -34.16 67.69 Favored 'General case' 0 C--N 1.369 1.415 0 C-N-CA 127.221 2.208 . . . . 0.0 114.199 -176.471 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.67 HG23 ' CZ2' ' A' ' 88' ' ' TRP . 44.5 m -55.86 -41.29 74.13 Favored 'General case' 0 C--N 1.359 1.015 0 C-N-CA 130.567 3.547 . . . . 0.0 112.893 -177.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -71.42 -27.36 63.24 Favored 'General case' 0 C--N 1.354 0.766 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 177.252 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -70.04 -38.61 75.89 Favored 'General case' 0 C--N 1.372 1.555 0 CA-C-O 123.515 1.626 . . . . 0.0 110.037 170.108 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.61 ' HB ' HG21 ' A' ' 81' ' ' VAL . 0.7 OUTLIER -70.69 -33.59 71.07 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 126.306 1.842 . . . . 0.0 112.211 178.765 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.415 ' HG2' ' O ' ' A' ' 67' ' ' THR . 0.0 OUTLIER -65.54 -39.21 91.48 Favored 'General case' 0 C--N 1.378 1.813 0 C-N-CA 124.809 1.244 . . . . 0.0 114.198 168.074 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 70.7 t90 -76.02 -55.63 5.42 Favored 'General case' 0 C--N 1.368 1.374 0 C-N-CA 126.151 1.781 . . . . 0.0 112.417 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . 0.421 0.0 OUTLIER -65.32 -35.05 79.8 Favored 'General case' 0 C--N 1.352 0.682 0 C-N-CA 126.743 2.017 . . . . 0.0 114.775 178.562 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -61.24 -30.57 74.3 Favored Glycine 0 C--N 1.371 2.482 0 C-N-CA 126.785 2.136 . . . . 0.0 114.625 163.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -83.25 -31.82 26.77 Favored 'General case' 0 C--N 1.364 1.225 0 C-N-CA 126.389 1.876 . . . . 0.0 114.57 177.705 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -79.05 -7.07 57.82 Favored 'General case' 0 C--N 1.367 1.339 0 O-C-N 120.667 -1.271 . . . . 0.0 112.82 176.354 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 84.4 34.04 18.04 Favored Glycine 0 C--N 1.358 1.769 0 C-N-CA 124.485 1.04 . . . . 0.0 113.963 178.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.4 HD23 ' HD3' ' A' ' 95' ' ' ARG . 0.2 OUTLIER -114.47 4.85 15.38 Favored 'General case' 0 C--N 1.365 1.25 0 CA-C-O 123.042 1.401 . . . . 0.0 108.777 176.464 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.499 ' SG ' HG23 ' A' ' 81' ' ' VAL . 26.3 t -154.62 152.53 30.11 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 116.638 2.088 . . . . 0.0 116.638 174.721 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 63.3 mttt -114.81 110.45 19.72 Favored 'General case' 0 N--CA 1.431 -1.415 1 C-N-CA 131.856 4.062 . . . . 0.0 104.842 168.628 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.61 HG21 ' HB ' ' A' ' 70' ' ' THR . 0.2 OUTLIER -112.43 146.88 16.63 Favored 'Isoleucine or valine' 0 C--N 1.352 0.716 0 O-C-N 118.73 -2.481 . . . . 0.0 112.976 -172.437 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -143.87 154.44 43.37 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 125.138 1.375 . . . . 0.0 111.723 175.558 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 77.6 tt0 -124.76 139.84 53.48 Favored 'General case' 0 C--N 1.369 1.445 0 O-C-N 119.828 -1.795 . . . . 0.0 111.51 179.316 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.449 ' HB ' ' CD ' ' A' ' 85' ' ' PRO . 61.7 p -119.21 176.81 1.55 Allowed Pre-proline 0 C--N 1.357 0.898 0 C-N-CA 130.969 3.708 . . . . 0.0 110.546 -178.3 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.449 ' CD ' ' HB ' ' A' ' 84' ' ' THR . 15.4 Cg_exo -69.95 -8.37 23.44 Favored 'Trans proline' 0 N--CA 1.442 -1.531 0 N-CA-C 118.206 2.349 . . . . 0.0 118.206 166.514 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.95 -6.1 14.26 Favored 'General case' 0 C--N 1.365 1.266 0 CA-C-N 121.596 1.998 . . . . 0.0 112.64 -178.526 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 156.16 -177.49 33.17 Favored Glycine 0 C--N 1.358 1.773 0 O-C-N 120.23 -1.544 . . . . 0.0 114.642 -177.627 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.67 ' CZ2' HG23 ' A' ' 67' ' ' THR . 9.2 m95 -93.37 107.39 19.23 Favored 'General case' 0 C--N 1.359 1.006 0 C-N-CA 129.32 3.048 . . . . 0.0 110.322 178.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -102.19 126.17 49.09 Favored 'General case' 0 C--N 1.355 0.813 0 N-CA-C 105.734 -1.95 . . . . 0.0 105.734 -178.058 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.491 ' HB ' ' SG ' ' A' ' 79' ' ' CYS . 1.0 OUTLIER -115.22 136.01 53.34 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.668 0 N-CA-C 103.525 -2.768 . . . . 0.0 103.525 -174.495 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -128.54 113.92 16.09 Favored 'General case' 0 CA--C 1.486 -1.518 1 N-CA-C 98.051 -4.796 . . . . 0.0 98.051 179.697 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.435 ' CD1' HG22 ' A' ' 37' ' ' THR 0.547 0.0 OUTLIER -72.98 147.99 44.66 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.569 1.148 . . . . 0.0 111.64 -178.038 . . . . . . . . 4 4 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -86.71 119.27 34.37 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.071 0 C-N-CA 128.007 2.523 . . . . 0.0 105.833 -177.725 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . 0.269 4.5 p-10 -76.62 97.92 4.55 Favored 'General case' 0 C--N 1.362 1.139 0 CA-C-N 120.734 1.606 . . . . 0.0 112.282 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.4 ' HD3' HD23 ' A' ' 78' ' ' LEU 0.256 25.1 mmm180 -43.35 -77.17 0.02 OUTLIER 'General case' 0 C--N 1.359 1.005 1 C-N-CA 131.704 4.001 . . . . 0.0 114.263 -178.796 . . . . . . . . 4 3 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -102.97 133.2 20.49 Favored Pre-proline 0 CA--C 1.537 0.459 0 CA-C-O 113.663 -3.065 . . . . 0.0 104.655 153.264 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -68.98 -18.95 40.47 Favored 'Trans proline' 0 C--N 1.36 1.139 2 CA-C-N 129.706 4.502 . . . . 0.0 112.846 174.352 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -67.33 -28.4 67.95 Favored 'General case' 0 C--N 1.364 1.229 0 C-N-CA 124.7 1.2 . . . . 0.0 110.967 168.569 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.429 ' O ' ' HB2' ' A' ' 103' ' ' GLN 0.297 0.5 OUTLIER -65.39 -34.57 78.61 Favored 'General case' 0 C--N 1.373 1.625 0 O-C-N 119.637 -1.915 . . . . 0.0 112.992 175.366 . . . . . . . . 4 4 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.439 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 1.7 mp -73.28 -51.0 27.61 Favored 'Isoleucine or valine' 0 C--N 1.376 1.726 0 C-N-CA 130.675 3.59 . . . . 0.0 110.466 173.647 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 43.3 mtp-105 -67.68 -38.58 83.93 Favored 'General case' 0 C--N 1.369 1.445 0 O-C-N 120.01 -1.681 . . . . 0.0 112.656 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 8.4 mmt180 -73.1 -22.7 60.51 Favored 'General case' 0 C--N 1.372 1.578 0 C-N-CA 125.765 1.626 . . . . 0.0 110.251 171.526 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.429 ' HB2' ' O ' ' A' ' 99' ' ' THR 0.271 0.0 OUTLIER -69.4 -54.95 11.86 Favored 'General case' 0 C--N 1.363 1.172 0 N-CA-C 115.306 1.595 . . . . 0.0 115.306 170.504 . . . . . . . . 4 4 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 100' ' ' ILE . 0.1 OUTLIER -76.27 -43.1 43.25 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 125.391 1.476 . . . . 0.0 114.874 -177.353 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 . . . . . 0 C--N 1.367 1.357 0 N-CA-C 116.391 1.997 . . . . 0.0 116.391 -174.687 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.483 1.195 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -56.07 -52.48 64.12 Favored 'General case' 0 C--N 1.368 1.371 0 C-N-CA 127.373 2.269 . . . . 0.0 113.251 171.604 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -70.97 -52.7 18.22 Favored 'General case' 0 C--N 1.366 1.288 0 N-CA-C 116.052 1.871 . . . . 0.0 116.052 172.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.369 63.0 m-85 -73.6 -33.81 64.76 Favored 'General case' 0 C--N 1.374 1.672 0 CA-C-N 120.076 1.307 . . . . 0.0 113.486 -175.185 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.3 t -73.24 -31.27 64.02 Favored 'General case' 0 C--N 1.378 1.836 0 O-C-N 121.028 -1.045 . . . . 0.0 113.431 168.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -70.94 -48.98 50.43 Favored 'General case' 0 C--N 1.372 1.568 0 CA-C-N 121.934 2.152 . . . . 0.0 113.497 171.608 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -65.87 -41.11 92.03 Favored 'General case' 0 C--N 1.372 1.568 0 C-N-CA 125.379 1.472 . . . . 0.0 113.442 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.434 ' CZ ' ' CE2' ' A' ' 46' ' ' TYR . 11.0 t80 -73.4 -53.94 9.51 Favored 'General case' 0 C--N 1.366 1.308 0 O-C-N 121.118 -0.989 . . . . 0.0 112.754 168.466 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.458 ' HG3' HD13 ' A' ' 28' ' ' LEU 0.3 36.6 ttp85 -70.43 -35.48 73.42 Favored 'General case' 0 C--N 1.368 1.392 0 N-CA-C 119.563 3.172 . . . . 0.0 119.563 -175.423 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -62.95 -51.12 68.11 Favored 'General case' 0 C--N 1.379 1.855 0 CA-C-N 122.238 2.29 . . . . 0.0 113.307 176.488 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -69.59 -44.24 71.19 Favored 'General case' 0 C--N 1.358 0.947 0 C-N-CA 128.356 2.663 . . . . 0.0 113.704 174.094 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -63.48 -46.59 85.47 Favored 'General case' 0 C--N 1.368 1.408 0 C-N-CA 126.212 1.805 . . . . 0.0 113.122 175.125 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.639 HD11 HD11 ' A' ' 73' ' ' LEU . 5.8 mp -66.29 -35.84 81.42 Favored 'General case' 0 C--N 1.382 2.005 0 CA-C-N 121.227 1.83 . . . . 0.0 112.588 175.759 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -59.65 -53.21 60.68 Favored 'General case' 0 C--N 1.363 1.194 0 C-N-CA 126.9 2.08 . . . . 0.0 113.298 172.066 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.461 HD21 ' HG2' ' A' ' 48' ' ' GLU . 0.4 OUTLIER -64.96 -37.52 87.93 Favored 'General case' 0 C--N 1.358 0.953 0 C-N-CA 129.077 2.951 . . . . 0.0 115.507 178.088 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.496 HD13 HD23 ' A' ' 28' ' ' LEU . 1.8 tt -64.41 -51.26 64.08 Favored 'General case' 0 C--N 1.374 1.642 0 C-N-CA 131.316 3.846 . . . . 0.0 109.507 171.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.4 mtm180 -62.95 -46.73 86.38 Favored 'General case' 0 C--N 1.362 1.14 0 N-CA-C 116.016 1.858 . . . . 0.0 116.016 174.191 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . 0.322 13.6 ptt180 -72.58 -53.67 11.29 Favored 'General case' 0 CA--C 1.494 -1.207 0 N-CA-C 119.819 3.266 . . . . 0.0 119.819 172.453 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.408 HH21 ' HG2' ' A' ' 48' ' ' GLU . 9.7 mtm180 -83.12 -20.5 34.71 Favored 'General case' 0 C--N 1.357 0.919 0 N-CA-C 114.57 1.322 . . . . 0.0 114.57 -171.873 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -120.7 -35.64 3.33 Favored 'General case' 0 C--N 1.358 0.97 0 C-N-CA 125.216 1.406 . . . . 0.0 112.996 -176.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 72.67 -117.0 5.93 Favored Glycine 0 C--N 1.396 3.862 0 O-C-N 119.135 -2.228 . . . . 0.0 111.163 -165.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.46 HG22 ' CD2' ' A' ' 92' ' ' TYR . 27.4 p -122.85 108.19 12.73 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 101.731 -3.433 . . . . 0.0 101.731 169.39 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -140.56 143.12 35.17 Favored 'General case' 0 CA--C 1.505 -0.751 0 C-N-CA 124.54 1.136 . . . . 0.0 109.715 178.402 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.34 108.14 11.46 Favored 'General case' 0 C--N 1.362 1.145 0 CA-C-O 124.615 2.15 . . . . 0.0 110.307 170.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.2 p -143.74 156.46 16.22 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.107 0 C-N-CA 128.115 2.566 . . . . 0.0 104.308 -167.639 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -83.66 141.38 31.54 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 120.021 -1.675 . . . . 0.0 110.762 178.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -63.43 -28.14 69.77 Favored 'General case' 0 C--N 1.363 1.184 0 N-CA-C 116.79 2.144 . . . . 0.0 116.79 -177.466 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.492 ' O ' ' HB3' ' A' ' 47' ' ' ASN . 4.2 t-20 -63.68 -49.36 73.46 Favored 'General case' 0 C--N 1.373 1.589 0 C-N-CA 126.312 1.845 . . . . 0.0 108.619 170.167 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.258 4.4 mt -54.27 -42.05 55.18 Favored 'Isoleucine or valine' 0 C--N 1.365 1.274 0 CA-C-N 121.587 1.994 . . . . 0.0 116.244 172.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.0 m -71.86 -39.65 67.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 O-C-N 120.589 -1.319 . . . . 0.0 112.044 174.052 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.434 ' CE2' ' CZ ' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -65.06 -51.31 62.19 Favored 'General case' 0 C--N 1.384 2.07 0 C-N-CA 127.46 2.304 . . . . 0.0 111.427 175.638 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.492 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -59.22 -30.1 68.0 Favored 'General case' 0 C--N 1.367 1.351 0 C-N-CA 130.378 3.471 . . . . 0.0 113.793 176.402 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.461 ' HG2' HD21 ' A' ' 30' ' ' LEU . 22.5 tt0 -81.3 -45.48 16.15 Favored 'General case' 0 C--N 1.364 1.215 0 C-N-CA 126.003 1.721 . . . . 0.0 111.261 177.388 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.468 ' CD2' HG23 ' A' ' 50' ' ' ILE . 0.2 OUTLIER -57.21 -45.52 83.72 Favored 'General case' 0 C--N 1.37 1.482 0 C-N-CA 129.565 3.146 . . . . 0.0 113.298 176.401 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.468 HG23 ' CD2' ' A' ' 49' ' ' TYR . 9.5 pt -80.26 -1.38 4.66 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.614 0 N-CA-C 121.058 3.725 . . . . 0.0 121.058 -176.279 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.9 t -84.41 8.34 16.6 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 119.623 1.101 . . . . 0.0 112.736 175.616 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 69.3 m-70 -98.84 -155.11 0.49 Allowed 'General case' 0 CA--C 1.553 1.083 1 C-N-CA 132.395 4.278 . . . . 0.0 106.595 174.1 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.69 -40.72 84.37 Favored 'General case' 0 C--N 1.369 1.451 0 O-C-N 118.152 -2.842 . . . . 0.0 116.854 179.667 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -63.61 11.75 0.03 OUTLIER 'General case' 0 CA--C 1.498 -1.048 1 C-N-CA 135.912 5.685 . . . . 0.0 121.224 -169.285 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . 0.304 59.2 t60 -47.57 102.74 0.03 OUTLIER 'General case' 0 C--N 1.367 1.351 0 C-N-CA 127.378 2.271 . . . . 0.0 117.085 -178.451 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 37.3 mt -134.22 162.46 39.07 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.054 1 C-N-CA 133.919 4.888 . . . . 0.0 100.879 -177.464 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -134.68 154.23 51.63 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 102.629 -3.1 . . . . 0.0 102.629 165.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.68 -13.76 0.28 Allowed 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 119.878 3.288 . . . . 0.0 119.878 -172.535 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -85.68 -20.26 29.66 Favored 'General case' 0 N--CA 1.417 -2.107 1 C-N-CA 132.574 4.35 . . . . 0.0 109.735 -173.551 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -92.65 46.65 1.25 Allowed 'General case' 0 C--N 1.381 1.972 0 C-N-CA 130.585 3.554 . . . . 0.0 113.567 175.046 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . 0.297 10.1 t -162.75 -171.74 2.83 Favored 'General case' 0 C--N 1.356 0.881 0 O-C-N 121.657 -0.652 . . . . 0.0 110.538 -174.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -73.97 -26.1 60.29 Favored 'General case' 0 C--N 1.364 1.213 0 C-N-CA 126.694 1.998 . . . . 0.0 116.169 -175.38 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -92.79 117.33 29.9 Favored 'General case' 0 N--CA 1.438 -1.032 0 C-N-CA 126.119 1.768 . . . . 0.0 109.633 -177.327 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -68.7 -49.18 60.97 Favored 'General case' 0 C--N 1.364 1.232 0 C-N-CA 125.033 1.333 . . . . 0.0 114.047 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 67.7 p -105.36 157.47 17.31 Favored 'General case' 0 C--N 1.35 0.623 0 C-N-CA 126.437 1.895 . . . . 0.0 106.144 -178.552 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.6 tp -66.7 -28.15 68.21 Favored 'General case' 0 C--N 1.37 1.47 0 O-C-N 119.082 -2.262 . . . . 0.0 112.943 178.335 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.608 HG23 ' CZ2' ' A' ' 88' ' ' TRP . 33.1 m -58.21 -40.54 81.87 Favored 'General case' 0 C--N 1.36 1.039 1 C-N-CA 133.163 4.585 . . . . 0.0 110.785 176.943 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -72.76 -29.61 63.46 Favored 'General case' 0 C--N 1.357 0.91 0 N-CA-C 116.903 2.186 . . . . 0.0 116.903 172.397 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.415 ' CZ ' HD22 ' A' ' 73' ' ' LEU . 49.7 t80 -72.78 -34.88 67.23 Favored 'General case' 0 C--N 1.373 1.589 0 C-N-CA 125.143 1.377 . . . . 0.0 109.757 172.089 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.425 ' HB ' HG21 ' A' ' 81' ' ' VAL 0.293 0.8 OUTLIER -72.0 -37.66 69.79 Favored 'General case' 0 C--N 1.357 0.905 0 C-N-CA 126.437 1.895 . . . . 0.0 110.838 175.043 . . . . . . . . 4 4 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.0 mmtt -63.17 -38.62 91.89 Favored 'General case' 0 C--N 1.378 1.817 0 N-CA-C 115.806 1.78 . . . . 0.0 115.806 167.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 86.7 t90 -80.57 -51.29 8.92 Favored 'General case' 0 C--N 1.361 1.099 0 C-N-CA 124.719 1.208 . . . . 0.0 113.537 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.639 HD11 HD11 ' A' ' 28' ' ' LEU . 0.5 OUTLIER -65.54 -35.29 80.42 Favored 'General case' 0 C--N 1.361 1.088 0 C-N-CA 127.542 2.337 . . . . 0.0 115.693 179.141 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -63.61 -27.73 71.42 Favored Glycine 0 C--N 1.364 2.13 0 C-N-CA 127.405 2.431 . . . . 0.0 113.666 167.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -82.17 -18.3 43.24 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 126.55 1.94 . . . . 0.0 115.916 179.067 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -76.77 -20.93 55.91 Favored 'General case' 0 C--N 1.352 0.691 0 O-C-N 120.719 -1.238 . . . . 0.0 113.26 178.181 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.66 20.97 41.85 Favored Glycine 0 C--N 1.373 2.637 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 -172.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.599 ' HB3' HD21 ' A' ' 28' ' ' LEU . 1.4 mt -101.06 -42.13 6.5 Favored 'General case' 0 CA--C 1.471 -2.072 0 C-N-CA 125.343 1.457 . . . . 0.0 111.307 175.841 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 14.3 m -123.53 156.64 35.27 Favored 'General case' 0 C--O 1.225 -0.191 0 N-CA-C 117.141 2.274 . . . . 0.0 117.141 -178.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 45.7 mttt -114.69 142.89 45.89 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 130.75 3.62 . . . . 0.0 106.257 176.139 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.425 HG21 ' HB ' ' A' ' 70' ' ' THR . 0.2 OUTLIER -139.1 141.81 35.32 Favored 'Isoleucine or valine' 0 C--N 1.352 0.694 0 O-C-N 118.956 -2.34 . . . . 0.0 111.748 -171.404 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -141.6 150.64 42.28 Favored 'General case' 0 C--N 1.363 1.164 0 CA-C-N 114.795 -1.093 . . . . 0.0 109.789 174.348 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -121.36 139.29 53.63 Favored 'General case' 0 C--N 1.366 1.324 0 O-C-N 120.509 -1.369 . . . . 0.0 109.24 177.062 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.444 ' HB ' ' CD ' ' A' ' 85' ' ' PRO . 36.1 p -119.91 176.81 1.61 Allowed Pre-proline 0 CA--C 1.499 -1.006 0 C-N-CA 129.506 3.122 . . . . 0.0 109.446 -178.008 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.444 ' CD ' ' HB ' ' A' ' 84' ' ' THR . 19.3 Cg_exo -69.72 -1.55 8.62 Favored 'Trans proline' 0 N--CA 1.44 -1.665 0 N-CA-C 117.995 2.267 . . . . 0.0 117.995 165.76 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -116.55 -6.54 11.67 Favored 'General case' 0 C--N 1.363 1.155 0 CA-C-N 120.97 1.714 . . . . 0.0 113.293 -178.087 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 157.44 -162.64 32.07 Favored Glycine 0 C--N 1.362 2.015 0 O-C-N 120.187 -1.571 . . . . 0.0 114.795 -178.161 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.608 ' CZ2' HG23 ' A' ' 67' ' ' THR . 10.3 m95 -110.34 117.4 33.52 Favored 'General case' 0 C--N 1.363 1.16 0 C-N-CA 127.232 2.213 . . . . 0.0 107.406 178.116 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -112.39 125.65 54.43 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 126.639 1.976 . . . . 0.0 106.438 -176.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -114.26 141.81 29.19 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 C-N-CA 127.971 2.508 . . . . 0.0 107.384 177.294 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -123.47 144.99 49.18 Favored 'General case' 0 N--CA 1.439 -0.996 0 N-CA-C 101.325 -3.583 . . . . 0.0 101.325 173.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.46 ' CD2' HG22 ' A' ' 37' ' ' THR 0.637 0.1 OUTLIER -96.67 150.4 20.72 Favored 'General case' 0 N--CA 1.449 -0.492 0 O-C-N 118.855 -2.403 . . . . 0.0 110.352 179.946 . . . . . . . . 4 4 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . 0.264 1.9 mm -85.69 121.45 37.25 Favored 'Isoleucine or valine' 0 C--N 1.351 0.65 1 C-N-CA 132.306 4.242 . . . . 0.0 102.561 -179.329 . . . . . . . . 3 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.4 ' HB3' HG21 ' A' ' 37' ' ' THR 0.345 12.5 p-10 -78.64 81.66 4.93 Favored 'General case' 0 C--N 1.366 1.317 0 O-C-N 118.908 -2.37 . . . . 0.0 114.294 -177.093 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.419 ' HA ' ' HE ' ' A' ' 95' ' ' ARG . 1.1 mmp_? -37.59 -96.13 0.0 OUTLIER 'General case' 0 C--N 1.364 1.228 1 C-N-CA 131.846 4.058 . . . . 0.0 116.112 177.553 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -102.8 115.49 64.15 Favored Pre-proline 0 C--N 1.345 0.386 0 O-C-N 120.298 -1.501 . . . . 0.0 107.919 163.511 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -61.43 -28.37 83.72 Favored 'Trans proline' 0 C--N 1.354 0.833 1 C-N-CA 126.618 4.879 . . . . 0.0 114.359 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -71.12 -20.29 62.34 Favored 'General case' 0 C--N 1.358 0.96 0 C-N-CA 127.492 2.317 . . . . 0.0 111.38 170.653 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -77.08 -47.23 21.08 Favored 'General case' 0 C--N 1.371 1.505 0 O-C-N 119.44 -2.037 . . . . 0.0 109.129 167.793 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 66.7 mt -64.92 -50.32 75.6 Favored 'Isoleucine or valine' 0 C--N 1.361 1.093 0 C-N-CA 129.452 3.101 . . . . 0.0 112.635 -178.197 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -70.53 -24.3 62.79 Favored 'General case' 0 C--N 1.36 1.04 0 O-C-N 119.161 -2.212 . . . . 0.0 113.517 175.768 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.4 mpt_? -79.92 -34.7 38.71 Favored 'General case' 0 C--N 1.371 1.506 0 C-N-CA 125.347 1.459 . . . . 0.0 109.635 174.251 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . 0.459 37.6 mt-30 -60.6 -47.76 84.77 Favored 'General case' 0 C--N 1.366 1.292 0 C-N-CA 127.382 2.273 . . . . 0.0 112.963 170.36 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -81.28 -44.57 17.5 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 116.472 2.027 . . . . 0.0 116.472 178.047 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 . . . . . 0 C--N 1.357 0.927 0 N-CA-C 117.467 2.395 . . . . 0.0 117.467 -176.098 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 16.4 tpt . . . . . 0 N--CA 1.482 1.149 0 N-CA-C 112.368 0.506 . . . . 0.0 112.368 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -60.8 -46.45 90.48 Favored 'General case' 0 C--N 1.362 1.139 0 O-C-N 119.63 -1.919 . . . . 0.0 114.312 173.097 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -70.64 -52.76 19.14 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 126.793 2.037 . . . . 0.0 115.141 174.645 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.257 19.1 m-85 -73.88 -32.31 63.54 Favored 'General case' 0 C--N 1.364 1.198 0 C-N-CA 125.513 1.525 . . . . 0.0 113.831 -178.259 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . 0.478 28.5 p -73.13 -29.72 63.09 Favored 'General case' 0 C--N 1.371 1.517 0 O-C-N 120.907 -1.12 . . . . 0.0 113.518 169.66 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -69.56 -36.03 75.94 Favored 'General case' 0 C--N 1.368 1.411 0 O-C-N 120.339 -1.476 . . . . 0.0 112.035 170.762 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -74.97 -49.15 20.98 Favored 'General case' 0 C--N 1.363 1.166 0 O-C-N 120.37 -1.457 . . . . 0.0 113.915 172.054 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.455 ' CZ ' ' CE1' ' A' ' 46' ' ' TYR . 25.6 t80 -73.34 -53.12 11.57 Favored 'General case' 0 C--N 1.366 1.311 0 O-C-N 120.566 -1.334 . . . . 0.0 114.529 177.671 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.398 0.0 OUTLIER -66.93 -32.37 73.57 Favored 'General case' 0 C--N 1.367 1.358 0 CA-C-N 122.109 2.231 . . . . 0.0 116.188 -178.762 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -69.82 -51.17 35.93 Favored 'General case' 0 C--N 1.367 1.341 0 O-C-N 118.913 -2.367 . . . . 0.0 114.992 171.639 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -68.22 -45.02 74.43 Favored 'General case' 0 C--N 1.363 1.189 0 C-N-CA 126.783 2.033 . . . . 0.0 112.717 -179.574 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -69.08 -39.32 79.12 Favored 'General case' 0 C--N 1.361 1.099 0 C-N-CA 127.238 2.215 . . . . 0.0 110.788 175.175 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.43 HD11 HD13 ' A' ' 78' ' ' LEU 0.302 8.2 mt -66.2 -37.18 84.96 Favored 'General case' 0 C--N 1.383 2.053 0 CA-C-N 121.948 2.158 . . . . 0.0 113.068 171.245 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -65.07 -49.62 69.37 Favored 'General case' 0 C--N 1.365 1.262 0 CA-C-N 121.429 1.922 . . . . 0.0 114.796 172.154 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.29 -37.51 87.55 Favored 'General case' 0 C--N 1.361 1.091 0 C-N-CA 127.085 2.154 . . . . 0.0 115.063 177.854 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.82 -39.86 76.25 Favored 'General case' 0 C--N 1.366 1.324 0 C-N-CA 128.634 2.774 . . . . 0.0 112.243 171.01 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 84.0 mtm180 -75.18 -41.79 57.24 Favored 'General case' 0 C--N 1.377 1.791 0 O-C-N 120.863 -1.148 . . . . 0.0 113.422 178.433 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.415 ' O ' HD22 ' A' ' 104' ' ' LEU 0.343 5.1 ptm180 -71.92 -53.36 13.37 Favored 'General case' 0 C--N 1.373 1.622 0 N-CA-C 117.465 2.395 . . . . 0.0 117.465 170.271 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -82.16 -29.54 31.51 Favored 'General case' 0 C--N 1.354 0.775 0 O-C-N 120.518 -1.364 . . . . 0.0 114.166 -168.209 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -111.82 -31.86 6.81 Favored 'General case' 0 C--N 1.354 0.763 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 -173.219 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 78.71 -108.39 2.65 Favored Glycine 0 C--N 1.383 3.172 0 O-C-N 119.896 -1.753 . . . . 0.0 112.591 176.147 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.625 HG21 ' HB3' ' A' ' 94' ' ' ASP . 0.1 OUTLIER -138.84 109.26 6.51 Favored 'General case' 0 CA--C 1.501 -0.917 0 N-CA-C 101.56 -3.496 . . . . 0.0 101.56 165.104 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.3 ttmt -159.68 155.96 26.96 Favored 'General case' 0 N--CA 1.437 -1.118 0 N-CA-C 103.943 -2.614 . . . . 0.0 103.943 -177.624 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -70.48 107.79 4.0 Favored 'General case' 0 CA--C 1.57 1.719 0 C-N-CA 126.373 1.869 . . . . 0.0 110.139 172.236 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -122.39 153.34 26.92 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.106 0 O-C-N 118.424 -2.672 . . . . 0.0 105.898 -176.27 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 65.0 t-80 -93.92 119.74 33.24 Favored 'General case' 0 C--N 1.35 0.603 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 174.417 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.412 ' CB ' HD21 ' A' ' 66' ' ' LEU . 41.0 m-20 -54.73 -29.88 54.71 Favored 'General case' 0 C--N 1.369 1.419 0 N-CA-C 117.944 2.572 . . . . 0.0 117.944 -174.104 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -65.94 -26.8 67.75 Favored 'General case' 0 C--N 1.367 1.329 0 C-N-CA 127.322 2.249 . . . . 0.0 112.725 170.356 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 20.1 mt -75.45 -42.39 42.61 Favored 'Isoleucine or valine' 0 C--N 1.367 1.362 0 C-N-CA 126.136 1.774 . . . . 0.0 110.12 171.725 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.1 m -72.82 -36.36 52.04 Favored 'Isoleucine or valine' 0 C--N 1.367 1.364 0 C-N-CA 124.756 1.223 . . . . 0.0 113.249 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.455 ' CE1' ' CZ ' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -61.18 -51.15 70.22 Favored 'General case' 0 C--N 1.385 2.123 0 C-N-CA 126.926 2.09 . . . . 0.0 111.08 176.552 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 55.1 m-80 -63.74 -27.84 69.47 Favored 'General case' 0 C--N 1.363 1.168 0 C-N-CA 130.215 3.406 . . . . 0.0 113.334 175.287 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -73.56 -41.44 62.94 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.302 1.041 . . . . 0.0 112.67 170.437 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.454 ' CE2' HG23 ' A' ' 50' ' ' ILE 0.276 1.1 t80 -67.44 -52.47 39.24 Favored 'General case' 0 C--N 1.365 1.245 0 C-N-CA 129.804 3.242 . . . . 0.0 113.667 176.728 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.486 HG21 ' O ' ' A' ' 56' ' ' ILE . 4.2 pt -76.3 -4.73 6.48 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 N-CA-C 118.511 2.782 . . . . 0.0 118.511 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 68.2 m -82.94 55.8 3.21 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.683 1.993 . . . . 0.0 108.241 170.432 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 78.2 m-70 -171.12 -172.73 1.16 Allowed 'General case' 0 C--N 1.356 0.884 1 C-N-CA 132.388 4.275 . . . . 0.0 101.571 -170.739 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.35 -36.66 71.48 Favored 'General case' 0 C--N 1.375 1.688 0 N-CA-C 118.984 2.957 . . . . 0.0 118.984 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -67.56 12.31 0.1 Allowed 'General case' 0 CA--C 1.496 -1.122 2 C-N-CA 134.589 5.156 . . . . 0.0 121.818 -167.213 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.447 ' CD2' HD12 ' A' ' 50' ' ' ILE 0.343 11.9 t-80 -41.22 95.38 0.01 OUTLIER 'General case' 0 C--N 1.362 1.141 0 N-CA-C 119.096 2.998 . . . . 0.0 119.096 179.77 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.486 ' O ' HG21 ' A' ' 50' ' ' ILE . 60.0 mt -134.15 138.16 50.64 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.259 1 C-N-CA 132.846 4.458 . . . . 0.0 101.695 179.79 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.402 ' CE1' ' CD1' ' A' ' 50' ' ' ILE . 0.1 OUTLIER -116.86 157.64 25.3 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 104.207 -2.516 . . . . 0.0 104.207 168.877 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.23 -14.48 0.26 Allowed 'General case' 0 C--N 1.365 1.255 0 C-N-CA 129.242 3.017 . . . . 0.0 118.787 -171.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -83.02 -20.61 34.73 Favored 'General case' 0 N--CA 1.426 -1.666 0 C-N-CA 131.477 3.911 . . . . 0.0 108.765 -174.479 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.4 ' HB3' HG23 ' A' ' 56' ' ' ILE . . . -89.14 49.22 1.73 Allowed 'General case' 0 C--N 1.383 2.03 0 C-N-CA 128.651 2.78 . . . . 0.0 111.389 169.262 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 28.9 p -138.99 -143.28 0.16 Allowed 'General case' 0 C--N 1.355 0.847 0 C-N-CA 126.153 1.781 . . . . 0.0 106.716 -177.757 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -135.82 21.72 3.31 Favored 'General case' 0 C--N 1.365 1.251 0 CA-C-O 124.555 2.121 . . . . 0.0 108.012 174.291 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.467 ' CE3' ' HB2' ' A' ' 69' ' ' PHE . 3.7 m0 -116.48 156.08 27.48 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 128.863 2.865 . . . . 0.0 108.411 -178.529 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -101.28 -55.57 2.51 Favored 'General case' 0 C--N 1.365 1.249 0 N-CA-C 119.606 3.187 . . . . 0.0 119.606 -170.024 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.0 t -141.72 35.01 1.61 Allowed 'General case' 0 C--N 1.355 0.832 0 O-C-N 120.155 -1.59 . . . . 0.0 109.602 -169.456 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.412 HD21 ' CB ' ' A' ' 42' ' ' ASN 0.275 3.4 tp 86.73 -41.9 0.04 OUTLIER 'General case' 0 C--N 1.353 0.724 0 C-N-CA 127.619 2.368 . . . . 0.0 112.495 -177.039 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.538 HG23 ' CZ2' ' A' ' 88' ' ' TRP . 45.8 m -56.85 -39.79 74.93 Favored 'General case' 0 CA--C 1.497 -1.075 1 C-N-CA 132.985 4.514 . . . . 0.0 114.643 -172.307 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.25 -27.38 61.55 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 127.879 2.472 . . . . 0.0 116.206 171.779 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.467 ' HB2' ' CE3' ' A' ' 63' ' ' TRP . 2.8 t80 -75.57 -36.83 60.28 Favored 'General case' 0 C--N 1.363 1.177 0 C-N-CA 126.905 2.082 . . . . 0.0 108.045 172.28 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . 0.374 0.6 OUTLIER -71.76 -34.5 69.54 Favored 'General case' 0 C--N 1.359 1.022 0 C-N-CA 126.672 1.989 . . . . 0.0 110.917 174.797 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.9 mmtt -63.36 -38.17 90.12 Favored 'General case' 0 C--N 1.37 1.467 0 N-CA-C 116.12 1.896 . . . . 0.0 116.12 166.116 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 91.1 t90 -80.83 -46.92 14.57 Favored 'General case' 0 C--N 1.369 1.441 0 C-N-CA 126.436 1.894 . . . . 0.0 114.537 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.402 HD21 ' SG ' ' A' ' 79' ' ' CYS 0.33 2.6 tp -65.48 -34.65 78.78 Favored 'General case' 0 C--N 1.351 0.631 0 O-C-N 118.791 -2.443 . . . . 0.0 112.267 176.39 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.45 ' HA2' ' O ' ' A' ' 79' ' ' CYS . . . -56.94 -34.33 65.37 Favored Glycine 0 C--N 1.373 2.602 0 C-N-CA 128.602 3.001 . . . . 0.0 117.57 158.047 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 64.3 ttt-85 -83.68 -46.74 11.98 Favored 'General case' 0 C--N 1.357 0.91 0 C-N-CA 126.51 1.924 . . . . 0.0 115.84 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -68.06 -14.49 63.02 Favored 'General case' 0 C--N 1.36 1.053 0 C-N-CA 128.47 2.708 . . . . 0.0 114.787 -176.351 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.45 26.14 28.64 Favored Glycine 0 C--N 1.358 1.769 0 CA-C-O 121.46 0.478 . . . . 0.0 112.845 178.759 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.43 HD13 HD11 ' A' ' 28' ' ' LEU . 87.0 mt -104.29 -31.56 9.51 Favored 'General case' 0 CA--C 1.491 -1.299 0 O-C-N 121.585 -0.95 . . . . 0.0 111.51 176.78 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.465 ' SG ' HD12 ' A' ' 90' ' ' ILE . 8.0 m -141.89 154.45 45.13 Favored 'General case' 0 CA--C 1.504 -0.809 0 CA-C-N 122.476 2.398 . . . . 0.0 113.487 174.531 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -94.51 144.84 25.24 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 127.456 2.302 . . . . 0.0 105.914 169.299 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.499 HG22 HG22 ' A' ' 90' ' ' ILE . 0.2 OUTLIER -131.6 155.13 41.46 Favored 'Isoleucine or valine' 0 C--N 1.346 0.431 0 O-C-N 118.128 -2.857 . . . . 0.0 110.639 -175.006 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -151.67 145.5 25.11 Favored 'General case' 0 C--N 1.357 0.926 0 CA-C-N 114.099 -1.41 . . . . 0.0 109.545 175.372 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -116.1 139.22 50.52 Favored 'General case' 0 C--N 1.364 1.2 0 O-C-N 120.093 -1.629 . . . . 0.0 109.356 176.613 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.426 ' HB ' ' CD ' ' A' ' 85' ' ' PRO . 33.3 p -125.05 175.63 2.91 Favored Pre-proline 0 CA--C 1.496 -1.132 0 C-N-CA 127.936 2.495 . . . . 0.0 109.903 -176.44 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.426 ' CD ' ' HB ' ' A' ' 84' ' ' THR . 24.5 Cg_exo -68.49 -1.6 7.7 Favored 'Trans proline' 0 N--CA 1.442 -1.557 0 N-CA-C 117.778 2.184 . . . . 0.0 117.778 164.338 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.1 ttpp -123.05 25.89 8.33 Favored 'General case' 0 C--N 1.36 1.041 0 C-N-CA 125.467 1.507 . . . . 0.0 111.122 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 120.42 -163.95 14.01 Favored Glycine 0 C--N 1.367 2.252 0 N-CA-C 118.181 2.032 . . . . 0.0 118.181 175.593 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.538 ' CZ2' HG23 ' A' ' 67' ' ' THR . 12.3 m95 -104.61 113.32 26.82 Favored 'General case' 0 C--N 1.368 1.392 0 C-N-CA 128.317 2.647 . . . . 0.0 108.613 176.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -109.74 144.53 38.01 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 126.085 1.754 . . . . 0.0 106.55 -178.243 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.499 HG22 HG22 ' A' ' 81' ' ' VAL . 3.5 pt -130.54 136.94 57.35 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.255 0 C-N-CA 127.3 2.24 . . . . 0.0 107.42 -178.298 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . 0.272 0.0 OUTLIER -120.21 107.61 13.2 Favored 'General case' 0 N--CA 1.433 -1.303 0 N-CA-C 101.375 -3.565 . . . . 0.0 101.375 176.081 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.5 ' O ' HG22 ' A' ' 37' ' ' THR 0.257 87.4 t80 -54.74 148.9 11.96 Favored 'General case' 0 C--N 1.354 0.783 0 C-N-CA 128.666 2.787 . . . . 0.0 114.001 -178.234 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.9 mt -88.05 112.94 24.35 Favored 'Isoleucine or valine' 0 CA--C 1.482 -1.649 0 N-CA-C 104.094 -2.558 . . . . 0.0 104.094 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.625 ' HB3' HG21 ' A' ' 37' ' ' THR 0.31 7.7 p-10 -76.59 95.01 3.83 Favored 'General case' 0 C--N 1.358 0.949 0 CA-C-O 122.182 0.992 . . . . 0.0 111.088 -178.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.409 ' HD3' ' CD2' ' A' ' 78' ' ' LEU . 28.3 mtm180 -59.79 -84.56 0.01 OUTLIER 'General case' 0 N--CA 1.441 -0.889 0 C-N-CA 129.762 3.225 . . . . 0.0 113.268 -170.749 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -102.15 119.31 56.95 Favored Pre-proline 0 CA--C 1.518 -0.28 0 CA-C-O 115.348 -2.263 . . . . 0.0 106.805 162.396 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -61.09 -25.89 81.93 Favored 'Trans proline' 0 C--N 1.352 0.716 1 C-N-CA 126.667 4.911 . . . . 0.0 115.877 -176.508 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.43 ' O ' ' HB3' ' A' ' 102' ' ' ARG . 8.3 mp0 -62.83 -40.55 97.76 Favored 'General case' 0 C--N 1.374 1.64 0 C-N-CA 124.715 1.206 . . . . 0.0 109.263 166.815 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.459 HG22 HD12 ' A' ' 100' ' ' ILE . 0.8 OUTLIER -62.97 -28.0 69.79 Favored 'General case' 0 C--O 1.214 -0.809 0 O-C-N 118.429 -2.669 . . . . 0.0 115.484 172.839 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.459 HD12 HG22 ' A' ' 99' ' ' THR . 1.8 mp -75.4 -50.54 23.74 Favored 'Isoleucine or valine' 0 C--N 1.362 1.119 0 C-N-CA 128.063 2.545 . . . . 0.0 112.6 168.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -76.01 -41.25 51.62 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 126.166 1.787 . . . . 0.0 114.566 -178.384 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.43 ' HB3' ' O ' ' A' ' 98' ' ' GLU 0.396 0.0 OUTLIER -71.45 -33.96 69.81 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 126.232 1.813 . . . . 0.0 112.216 179.944 . . . . . . . . 4 4 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.448 ' HB2' ' O ' ' A' ' 99' ' ' THR . 4.1 tp60 -60.45 -35.95 77.05 Favored 'General case' 0 C--N 1.359 1.002 0 C-N-CA 126.191 1.796 . . . . 0.0 115.65 169.848 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.415 HD22 ' O ' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -81.72 -56.51 3.95 Favored 'General case' 0 C--N 1.359 0.988 0 C-N-CA 124.563 1.145 . . . . 0.0 112.465 172.238 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 . . . . . 0 C--N 1.367 1.34 0 N-CA-C 116.909 2.188 . . . . 0.0 116.909 -174.906 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.483 -1.929 0 N-CA-C 109.359 -1.496 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -88.5 -67.52 0.83 Allowed 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 125.986 1.714 . . . . 0.0 115.139 -176.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.67 52.35 0.99 Allowed 'General case' 0 C--N 1.359 1.002 0 C-N-CA 126.509 1.924 . . . . 0.0 116.076 -174.566 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -88.02 -23.18 23.86 Favored 'General case' 0 C--N 1.363 1.194 0 C-N-CA 127.403 2.281 . . . . 0.0 115.244 -177.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.7 mm? 71.59 -59.47 0.55 Allowed 'General case' 0 C--N 1.364 1.22 0 C-N-CA 127.83 2.452 . . . . 0.0 113.501 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . 0.33 0.6 OUTLIER 68.17 -60.97 0.4 Allowed 'General case' 0 C--N 1.358 0.978 0 C-N-CA 129.364 3.066 . . . . 0.0 117.293 175.846 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.319 53.2 mt 69.54 -31.95 0.22 Allowed 'General case' 0 C--N 1.359 1.003 0 C-N-CA 129.824 3.25 . . . . 0.0 118.097 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 82.1 14.18 0.52 Allowed 'General case' 0 C--N 1.355 0.81 0 N-CA-C 116.82 2.156 . . . . 0.0 116.82 168.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.0 t -85.32 54.63 3.18 Favored 'General case' 0 C--N 1.361 1.067 0 C-N-CA 127.17 2.188 . . . . 0.0 114.283 -177.008 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -118.74 -170.94 2.0 Allowed 'General case' 0 C--N 1.353 0.73 0 C-N-CA 126.571 1.948 . . . . 0.0 111.665 -177.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 63.0 69.73 0.82 Allowed Pre-proline 0 C--N 1.363 1.155 0 C-N-CA 129.197 2.999 . . . . 0.0 117.185 173.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -79.93 -17.0 11.05 Favored 'Trans proline' 0 CA--C 1.546 1.102 0 C-N-CA 125.137 3.891 . . . . 0.0 115.469 -176.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -78.29 3.71 14.74 Favored 'General case' 0 C--N 1.36 1.053 0 C-N-CA 126.915 2.086 . . . . 0.0 116.323 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -112.87 -6.43 13.8 Favored 'General case' 0 C--N 1.357 0.929 0 C-N-CA 126.372 1.869 . . . . 0.0 112.114 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -109.4 20.8 17.83 Favored 'General case' 0 C--N 1.362 1.133 0 O-C-N 120.272 -1.518 . . . . 0.0 110.065 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 18.0 tpt -62.28 -31.0 71.52 Favored 'General case' 0 C--N 1.378 1.832 0 C-N-CA 128.546 2.738 . . . . 0.0 113.557 177.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -64.85 -52.57 55.94 Favored 'General case' 0 C--N 1.361 1.091 0 O-C-N 119.627 -1.92 . . . . 0.0 111.923 173.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -71.08 -53.26 15.26 Favored 'General case' 0 C--N 1.359 0.986 0 N-CA-C 117.226 2.306 . . . . 0.0 117.226 174.099 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -73.79 -35.42 64.92 Favored 'General case' 0 C--N 1.363 1.193 0 C-N-CA 124.889 1.276 . . . . 0.0 113.48 -176.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . 0.29 5.2 t -72.55 -30.45 64.45 Favored 'General case' 0 C--N 1.374 1.655 0 O-C-N 121.16 -0.962 . . . . 0.0 113.093 173.038 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -70.55 -50.43 37.6 Favored 'General case' 0 C--N 1.371 1.539 0 CA-C-N 119.093 0.861 . . . . 0.0 112.641 172.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -66.83 -39.28 87.61 Favored 'General case' 0 C--N 1.37 1.476 0 C-N-CA 125.28 1.432 . . . . 0.0 113.951 175.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -71.2 -53.12 15.54 Favored 'General case' 0 C--N 1.372 1.556 0 CA-C-O 116.772 -1.585 . . . . 0.0 112.237 173.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.611 HH11 HD12 ' A' ' 28' ' ' LEU 0.361 34.6 ttp85 -70.81 -28.77 64.88 Favored 'General case' 0 C--N 1.373 1.592 0 CA-C-N 123.86 3.027 . . . . 0.0 115.415 177.518 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -64.89 -51.75 60.23 Favored 'General case' 0 C--N 1.37 1.471 0 O-C-N 119.074 -2.266 . . . . 0.0 113.762 174.222 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -77.17 -37.78 53.07 Favored 'General case' 0 C--N 1.354 0.761 0 N-CA-C 114.439 1.274 . . . . 0.0 114.439 175.17 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -69.09 -47.6 64.8 Favored 'General case' 0 C--N 1.365 1.28 0 CA-C-N 121.171 1.805 . . . . 0.0 112.447 178.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.698 HD11 HD22 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -66.8 -34.37 77.68 Favored 'General case' 0 C--N 1.368 1.378 0 C-N-CA 125.336 1.454 . . . . 0.0 112.865 176.062 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.02 -44.81 72.0 Favored 'General case' 0 C--N 1.384 2.09 0 N-CA-C 113.137 0.792 . . . . 0.0 113.137 170.386 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.62 -38.13 88.55 Favored 'General case' 0 C--N 1.364 1.22 0 C-N-CA 127.151 2.181 . . . . 0.0 114.419 177.672 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.58 -39.54 91.74 Favored 'General case' 0 C--N 1.363 1.179 0 C-N-CA 130.513 3.525 . . . . 0.0 110.262 171.286 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 41.8 mtm180 -74.98 -47.41 29.45 Favored 'General case' 0 N--CA 1.44 -0.941 0 N-CA-C 116.785 2.143 . . . . 0.0 116.785 176.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.419 ' O ' HD22 ' A' ' 104' ' ' LEU 0.322 10.3 ptt180 -72.97 -46.45 52.28 Favored 'General case' 0 CA--C 1.477 -1.847 0 N-CA-C 119.704 3.224 . . . . 0.0 119.704 172.085 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -83.59 -20.99 32.74 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 114.009 1.115 . . . . 0.0 114.009 -173.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -120.16 -40.06 2.75 Favored 'General case' 0 C--N 1.364 1.208 0 CA-C-O 118.148 -0.93 . . . . 0.0 113.234 -175.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.23 -118.23 4.65 Favored Glycine 0 C--N 1.39 3.569 0 CA-C-N 123.182 2.719 . . . . 0.0 110.595 -172.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.461 HG21 ' HB3' ' A' ' 94' ' ' ASP . 29.7 p -131.56 108.99 9.93 Favored 'General case' 0 C--N 1.351 0.641 0 N-CA-C 102.78 -3.045 . . . . 0.0 102.78 169.219 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -137.61 145.76 43.15 Favored 'General case' 0 CA--C 1.498 -1.022 0 C-N-CA 125.175 1.39 . . . . 0.0 108.34 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.33 108.37 8.06 Favored 'General case' 0 C--N 1.365 1.265 0 CA-C-O 123.353 1.549 . . . . 0.0 108.071 168.568 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.5 p -144.84 154.82 14.29 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.681 0 C-N-CA 125.285 1.434 . . . . 0.0 107.479 -168.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 62.2 t-80 -88.69 123.85 33.53 Favored 'General case' 0 C--N 1.358 0.965 0 C-N-CA 124.844 1.258 . . . . 0.0 110.944 -177.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.0 m-20 -52.64 -30.89 34.0 Favored 'General case' 0 C--N 1.365 1.258 0 N-CA-C 117.61 2.448 . . . . 0.0 117.61 -177.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -69.01 -28.16 66.33 Favored 'General case' 0 C--N 1.371 1.516 0 O-C-N 120.461 -1.4 . . . . 0.0 112.16 173.089 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.2 mt -72.13 -39.04 64.7 Favored 'Isoleucine or valine' 0 C--N 1.37 1.46 0 C-N-CA 126.636 1.975 . . . . 0.0 110.592 173.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.8 m -73.11 -41.16 59.02 Favored 'Isoleucine or valine' 0 C--N 1.363 1.192 0 C-N-CA 125.376 1.471 . . . . 0.0 111.249 177.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -61.3 -50.72 71.85 Favored 'General case' 0 C--N 1.381 1.977 0 C-N-CA 129.156 2.982 . . . . 0.0 112.35 175.192 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -66.95 -26.77 66.99 Favored 'General case' 0 C--N 1.363 1.189 0 C-N-CA 128.616 2.767 . . . . 0.0 112.779 176.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -75.23 -48.85 21.48 Favored 'General case' 0 C--N 1.355 0.807 0 C-N-CA 125.004 1.322 . . . . 0.0 112.037 172.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.476 ' CE2' HG23 ' A' ' 50' ' ' ILE . 0.4 OUTLIER -56.69 -52.42 65.01 Favored 'General case' 0 C--N 1.369 1.414 0 C-N-CA 130.796 3.638 . . . . 0.0 112.676 177.623 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.476 HG23 ' CE2' ' A' ' 49' ' ' TYR . 4.2 pt -72.02 -2.94 3.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 N-CA-C 120.951 3.686 . . . . 0.0 120.951 -178.481 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 96.1 p -71.82 -9.72 58.72 Favored 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 126.858 2.063 . . . . 0.0 113.544 175.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 45.5 m-70 -95.36 -153.34 0.39 Allowed 'General case' 0 CA--C 1.557 1.242 0 C-N-CA 131.248 3.819 . . . . 0.0 109.679 175.295 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.02 -43.14 93.41 Favored 'General case' 0 C--N 1.374 1.669 0 O-C-N 118.607 -2.558 . . . . 0.0 116.71 -178.44 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -62.36 11.5 0.02 OUTLIER 'General case' 0 CA--C 1.497 -1.094 1 C-N-CA 137.674 6.39 . . . . 0.0 120.952 -168.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.411 ' HA ' HG22 ' A' ' 50' ' ' ILE 0.332 60.2 t60 -45.76 87.06 0.0 OUTLIER 'General case' 0 C--N 1.365 1.282 0 N-CA-C 118.517 2.784 . . . . 0.0 118.517 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.419 ' O ' HG21 ' A' ' 50' ' ' ILE . 65.0 mt -119.35 143.58 30.28 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.048 1 C-N-CA 132.638 4.375 . . . . 0.0 104.67 178.013 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -108.29 152.35 24.74 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 105.623 -1.991 . . . . 0.0 105.623 169.645 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.99 -25.05 7.52 Favored 'General case' 0 N--CA 1.495 1.793 0 C-N-CA 127.632 2.373 . . . . 0.0 116.961 -178.518 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -73.35 -14.86 61.37 Favored 'General case' 0 CA--C 1.574 1.879 1 C-N-CA 132.772 4.429 . . . . 0.0 111.448 -177.175 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -80.51 -1.75 43.11 Favored 'General case' 0 C--N 1.386 2.191 0 C-N-CA 129.015 2.926 . . . . 0.0 115.309 172.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 7.4 p -101.58 175.87 5.42 Favored 'General case' 0 C--N 1.351 0.64 0 C-N-CA 128.806 2.842 . . . . 0.0 110.885 -177.122 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -87.29 0.04 56.0 Favored 'General case' 0 C--N 1.369 1.431 0 O-C-N 120.14 -1.6 . . . . 0.0 113.062 173.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 1.9 m-90 -91.52 105.79 18.01 Favored 'General case' 0 C--N 1.36 1.032 0 C-N-CA 127.674 2.389 . . . . 0.0 107.149 177.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -74.63 -11.5 60.21 Favored 'General case' 0 C--N 1.362 1.131 0 C-N-CA 126.929 2.092 . . . . 0.0 115.259 -177.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 33.9 p -141.01 160.35 40.28 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 103.11 -2.922 . . . . 0.0 103.11 -178.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.9 tp -71.33 -26.29 62.77 Favored 'General case' 0 C--N 1.37 1.479 0 O-C-N 119.913 -1.742 . . . . 0.0 111.532 176.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.61 HG23 ' CZ2' ' A' ' 88' ' ' TRP . 41.5 m -57.87 -42.95 85.61 Favored 'General case' 0 CA--C 1.49 -1.341 1 C-N-CA 134.02 4.928 . . . . 0.0 110.664 179.434 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.96 -26.87 62.44 Favored 'General case' 0 C--N 1.356 0.856 0 C-N-CA 127.045 2.138 . . . . 0.0 116.583 174.084 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.423 ' CZ ' HD22 ' A' ' 73' ' ' LEU . 3.8 t80 -73.75 -37.09 65.17 Favored 'General case' 0 C--N 1.366 1.293 0 C-N-CA 126.767 2.027 . . . . 0.0 108.764 172.134 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.492 ' HB ' HG21 ' A' ' 81' ' ' VAL . 0.9 OUTLIER -71.65 -36.29 70.66 Favored 'General case' 0 C--N 1.36 1.06 0 C-N-CA 126.489 1.916 . . . . 0.0 111.164 174.215 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.9 mmtt -63.33 -36.62 84.3 Favored 'General case' 0 C--N 1.378 1.831 0 N-CA-C 115.673 1.731 . . . . 0.0 115.673 169.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 91.6 t90 -81.09 -54.64 5.37 Favored 'General case' 0 C--N 1.364 1.239 0 C-N-CA 126.067 1.747 . . . . 0.0 114.121 178.139 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.423 HD22 ' CZ ' ' A' ' 69' ' ' PHE . 0.6 OUTLIER -65.45 -35.16 80.1 Favored 'General case' 0 C--N 1.364 1.196 0 C-N-CA 128.329 2.652 . . . . 0.0 116.31 -179.63 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -62.44 -26.92 68.67 Favored Glycine 0 C--N 1.363 2.062 0 C-N-CA 128.781 3.086 . . . . 0.0 114.325 169.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 -83.17 -19.71 36.06 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 126.417 1.887 . . . . 0.0 116.013 -176.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -87.7 -17.63 31.33 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 124.994 1.318 . . . . 0.0 113.345 -174.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 93.0 25.58 19.33 Favored Glycine 0 C--N 1.367 2.291 0 CA-C-O 122.262 0.923 . . . . 0.0 110.796 -177.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.698 HD22 HD11 ' A' ' 28' ' ' LEU . 0.3 OUTLIER -109.01 -35.82 6.24 Favored 'General case' 0 CA--C 1.481 -1.679 0 C-N-CA 124.197 0.999 . . . . 0.0 109.649 176.268 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 92' ' ' TYR . 34.8 m -131.34 153.11 49.96 Favored 'General case' 0 C--N 1.345 0.401 0 N-CA-C 116.405 2.002 . . . . 0.0 116.405 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.2 tptm -111.25 144.21 40.78 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 128.84 2.856 . . . . 0.0 105.795 172.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.544 HG22 HG22 ' A' ' 90' ' ' ILE . 0.1 OUTLIER -135.46 145.85 30.98 Favored 'Isoleucine or valine' 0 C--N 1.351 0.65 0 O-C-N 118.735 -2.478 . . . . 0.0 112.669 -173.399 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -145.16 153.09 41.01 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 125.3 1.44 . . . . 0.0 110.421 174.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -122.42 138.84 54.41 Favored 'General case' 0 C--N 1.367 1.358 0 O-C-N 120.044 -1.66 . . . . 0.0 109.815 177.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.438 ' HB ' ' CD ' ' A' ' 85' ' ' PRO . 30.6 p -124.99 175.6 2.92 Favored Pre-proline 0 CA--C 1.496 -1.108 0 C-N-CA 128.284 2.634 . . . . 0.0 110.032 -176.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.438 ' CD ' ' HB ' ' A' ' 84' ' ' THR . 28.1 Cg_exo -68.04 -4.25 12.18 Favored 'Trans proline' 0 N--CA 1.44 -1.619 0 N-CA-C 117.968 2.257 . . . . 0.0 117.968 165.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -117.73 18.73 14.06 Favored 'General case' 0 C--N 1.36 1.055 0 C-N-CA 126.069 1.748 . . . . 0.0 112.284 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 128.31 -161.01 22.13 Favored Glycine 0 C--N 1.365 2.164 0 N-CA-C 117.358 1.703 . . . . 0.0 117.358 177.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.61 ' CZ2' HG23 ' A' ' 67' ' ' THR . 12.1 m95 -109.74 115.92 30.74 Favored 'General case' 0 C--N 1.364 1.237 0 C-N-CA 127.838 2.455 . . . . 0.0 107.097 177.218 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -115.03 128.26 56.15 Favored 'General case' 0 CA--C 1.498 -1.053 0 C-N-CA 126.809 2.044 . . . . 0.0 106.217 -175.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.544 HG22 HG22 ' A' ' 81' ' ' VAL . 3.2 pt -114.75 140.53 35.35 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.998 0 C-N-CA 126.682 1.993 . . . . 0.0 107.376 178.555 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.52 117.52 30.59 Favored 'General case' 0 N--CA 1.437 -1.104 0 N-CA-C 100.98 -3.711 . . . . 0.0 100.98 170.54 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.428 ' HA ' ' HA ' ' A' ' 79' ' ' CYS 0.614 0.0 OUTLIER -77.23 149.67 35.46 Favored 'General case' 0 CA--C 1.554 1.112 0 O-C-N 119.701 -1.874 . . . . 0.0 112.278 -179.656 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . 0.252 2.2 mm -85.73 123.16 39.24 Favored 'Isoleucine or valine' 0 C--N 1.351 0.648 0 C-N-CA 131.354 3.862 . . . . 0.0 107.02 -176.156 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.461 ' HB3' HG21 ' A' ' 37' ' ' THR 0.356 11.6 p-10 -74.36 34.37 0.09 Allowed 'General case' 0 C--N 1.363 1.163 0 N-CA-C 119.554 3.168 . . . . 0.0 119.554 -172.286 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.424 ' HD3' HD23 ' A' ' 78' ' ' LEU . 12.8 mmm180 23.16 -101.37 0.01 OUTLIER 'General case' 0 C--N 1.361 1.071 1 C-N-CA 133.845 4.858 . . . . 0.0 115.689 176.343 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -103.03 113.73 65.69 Favored Pre-proline 0 CA--C 1.512 -0.519 0 CA-C-O 116.248 -1.834 . . . . 0.0 106.123 159.026 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_exo -64.51 -29.82 61.67 Favored 'Trans proline' 0 C--N 1.359 1.101 0 C-N-CA 125.175 3.916 . . . . 0.0 114.791 -172.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -63.79 -23.6 67.43 Favored 'General case' 0 C--N 1.357 0.919 0 C-N-CA 126.136 1.774 . . . . 0.0 111.22 170.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -76.64 -40.15 50.08 Favored 'General case' 0 C--N 1.366 1.313 0 O-C-N 119.896 -1.752 . . . . 0.0 111.157 169.436 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 34.0 mm -66.46 -49.64 73.69 Favored 'Isoleucine or valine' 0 C--N 1.367 1.345 0 C-N-CA 131.403 3.881 . . . . 0.0 110.516 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 64.0 mmt-85 -72.62 -29.85 63.82 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 127.705 2.402 . . . . 0.0 113.45 177.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -78.65 -29.14 45.62 Favored 'General case' 0 C--N 1.377 1.79 0 O-C-N 120.047 -1.658 . . . . 0.0 111.294 174.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.401 ' HB3' ' HB3' ' A' ' 33' ' ' ARG . 44.6 mt-30 -62.86 -59.38 4.93 Favored 'General case' 0 C--N 1.36 1.022 0 C-N-CA 127.175 2.19 . . . . 0.0 112.243 169.704 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.419 HD22 ' O ' ' A' ' 33' ' ' ARG 0.29 0.1 OUTLIER -48.69 -58.22 5.09 Favored 'General case' 0 CA--C 1.536 0.414 1 C-N-CA 133.972 4.909 . . . . 0.0 116.621 173.014 . . . . . . . . 5 4 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -85.36 -58.87 2.5 Favored 'General case' 0 C--N 1.364 1.237 0 N-CA-C 118.916 2.932 . . . . 0.0 118.916 178.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 5.3 mt -83.34 -46.15 12.93 Favored 'General case' 0 C--N 1.364 1.232 0 N-CA-C 117.358 2.355 . . . . 0.0 117.358 -168.206 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -62.72 -16.27 56.69 Favored 'General case' 0 C--N 1.374 1.638 0 C-N-CA 127.163 2.185 . . . . 0.0 113.66 -177.031 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -71.84 -22.5 61.53 Favored 'General case' 0 C--N 1.353 0.761 0 C-N-CA 129.07 2.948 . . . . 0.0 114.367 174.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -84.24 -15.63 46.13 Favored 'General case' 0 C--N 1.361 1.088 0 C-N-CA 128.181 2.592 . . . . 0.0 113.272 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 17.4 pttp -120.45 -46.74 2.37 Favored 'General case' 0 C--N 1.355 0.814 0 C-N-CA 126.391 1.876 . . . . 0.0 110.534 -179.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.361 1.09 0 N-CA-C 106.562 -1.644 . . . . 0.0 106.562 175.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.493 -1.315 0 N-CA-C 109.292 -1.523 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -83.44 -41.31 18.23 Favored 'General case' 0 C--N 1.357 0.927 0 C-N-CA 126.202 1.801 . . . . 0.0 113.373 177.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 29.5 ttt85 -167.29 -179.8 4.68 Favored 'General case' 0 N--CA 1.442 -0.867 0 N-CA-C 105.692 -1.966 . . . . 0.0 105.692 -172.206 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . 0.435 3.3 pt20 66.49 -67.88 0.15 Allowed 'General case' 0 C--N 1.358 0.945 0 C-N-CA 129.394 3.078 . . . . 0.0 117.535 -178.217 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.253 7.8 mt 72.55 55.89 0.14 Allowed 'General case' 0 C--N 1.356 0.887 0 C-N-CA 129.797 3.239 . . . . 0.0 110.765 -178.446 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -98.52 -173.17 2.48 Favored 'General case' 0 C--N 1.355 0.83 0 C-N-CA 127.266 2.227 . . . . 0.0 115.124 -171.333 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -110.29 11.24 23.49 Favored 'General case' 0 C--N 1.361 1.07 0 C-N-CA 125.501 1.52 . . . . 0.0 112.573 179.604 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 72.64 50.28 0.18 Allowed 'General case' 0 C--N 1.354 0.794 0 C-N-CA 126.904 2.082 . . . . 0.0 116.121 172.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.7 t -163.49 146.12 9.95 Favored 'General case' 0 C--N 1.354 0.781 0 N-CA-C 104.446 -2.427 . . . . 0.0 104.446 177.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -170.2 162.24 8.67 Favored 'General case' 0 C--N 1.355 0.825 0 N-CA-C 101.009 -3.7 . . . . 0.0 101.009 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -111.86 101.49 51.58 Favored Pre-proline 0 C--N 1.35 0.588 0 C-N-CA 125.311 1.445 . . . . 0.0 108.229 177.432 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -82.49 47.62 2.53 Favored 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 124.355 3.37 . . . . 0.0 111.425 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -70.81 67.95 0.4 Allowed 'General case' 0 C--N 1.368 1.409 0 C-N-CA 128.163 2.585 . . . . 0.0 112.293 177.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . 0.296 31.7 mt-30 77.12 39.2 0.21 Allowed 'General case' 0 C--N 1.362 1.149 1 C-N-CA 132.196 4.199 . . . . 0.0 110.523 -173.602 . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . 0.294 5.6 m-85 67.84 24.77 8.06 Favored 'General case' 0 C--N 1.369 1.421 1 C-N-CA 133.332 4.653 . . . . 0.0 113.387 -179.792 . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.411 ' HE1' ' CZ2' ' A' ' 72' ' ' TRP . 1.6 tmt? -55.5 -54.16 47.4 Favored 'General case' 0 C--N 1.373 1.607 0 C-N-CA 128.21 2.604 . . . . 0.0 114.985 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.38 -22.07 61.19 Favored 'General case' 0 C--N 1.364 1.235 0 CA-C-N 123.628 2.922 . . . . 0.0 114.517 178.245 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -71.44 -54.01 12.07 Favored 'General case' 0 C--N 1.368 1.371 0 C-N-CA 124.805 1.242 . . . . 0.0 113.661 170.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -74.59 -37.68 62.84 Favored 'General case' 0 C--N 1.365 1.271 0 C-N-CA 126.673 1.989 . . . . 0.0 114.22 177.323 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . 0.467 1.5 m -72.61 -28.18 62.62 Favored 'General case' 0 CA--C 1.489 -1.381 0 C-N-CA 126.945 2.098 . . . . 0.0 114.648 177.404 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.434 ' O ' ' HB2' ' A' ' 25' ' ' ASN . 35.3 tt0 -68.93 -49.11 60.9 Favored 'General case' 0 C--N 1.37 1.463 0 CA-C-N 120.15 1.341 . . . . 0.0 110.471 170.043 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -66.7 -34.09 77.08 Favored 'General case' 0 C--N 1.368 1.409 0 C-N-CA 125.41 1.484 . . . . 0.0 114.984 176.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.408 ' CZ ' ' CE1' ' A' ' 46' ' ' TYR . 8.1 t80 -73.79 -53.44 10.27 Favored 'General case' 0 C--N 1.366 1.296 0 O-C-N 119.384 -2.072 . . . . 0.0 111.027 170.057 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.468 HH12 ' HD1' ' A' ' 27' ' ' PHE 0.406 0.1 OUTLIER -70.6 -36.55 73.58 Favored 'General case' 0 C--N 1.36 1.03 0 N-CA-C 118.327 2.714 . . . . 0.0 118.327 -176.564 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 0.7 OUTLIER -66.04 -51.3 59.49 Favored 'General case' 0 C--N 1.366 1.309 0 O-C-N 119.843 -1.786 . . . . 0.0 114.811 177.35 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -73.5 -39.39 64.86 Favored 'General case' 0 C--N 1.35 0.605 0 C-N-CA 125.459 1.503 . . . . 0.0 112.164 175.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.468 ' HD1' HH12 ' A' ' 24' ' ' ARG . 25.6 t80 -67.99 -40.13 83.12 Favored 'General case' 0 C--N 1.375 1.682 0 CA-C-N 120.84 1.654 . . . . 0.0 113.248 175.681 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.569 HD11 HD22 ' A' ' 78' ' ' LEU 0.313 0.9 OUTLIER -65.26 -37.79 88.31 Favored 'General case' 0 C--N 1.38 1.924 0 CA-C-N 122.179 2.263 . . . . 0.0 112.703 172.749 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -60.19 -51.69 68.51 Favored 'General case' 0 C--N 1.38 1.907 0 CA-C-N 120.73 1.605 . . . . 0.0 113.707 168.022 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.4 tp -56.91 -43.13 81.09 Favored 'General case' 0 C--N 1.363 1.188 0 C-N-CA 129.167 2.987 . . . . 0.0 114.561 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.415 HD11 ' HB2' ' A' ' 92' ' ' TYR . 3.8 tt -64.32 -53.05 54.91 Favored 'General case' 0 C--N 1.369 1.417 0 C-N-CA 130.956 3.703 . . . . 0.0 110.557 175.08 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 84.1 mtm180 -63.63 -46.26 86.5 Favored 'General case' 0 C--N 1.363 1.154 0 N-CA-C 116.69 2.108 . . . . 0.0 116.69 174.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . 0.266 6.6 ptt-85 -71.98 -54.32 10.32 Favored 'General case' 0 C--N 1.371 1.51 0 N-CA-C 117.319 2.34 . . . . 0.0 117.319 172.355 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -83.05 -24.01 32.94 Favored 'General case' 0 C--N 1.355 0.808 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 -167.081 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -120.23 -35.33 3.47 Favored 'General case' 0 C--N 1.36 1.04 0 C-N-CA 124.648 1.179 . . . . 0.0 111.764 -175.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 75.66 -115.7 4.64 Favored Glycine 0 C--N 1.383 3.148 0 O-C-N 119.506 -1.996 . . . . 0.0 111.257 -168.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.0 p -124.18 107.84 11.66 Favored 'General case' 0 N--CA 1.437 -1.124 0 N-CA-C 102.544 -3.132 . . . . 0.0 102.544 172.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.0 ttmt -147.34 141.52 26.13 Favored 'General case' 0 CA--C 1.508 -0.659 0 C-N-CA 124.701 1.201 . . . . 0.0 108.925 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.53 108.29 4.25 Favored 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 126.234 1.814 . . . . 0.0 109.769 173.452 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.4 p -151.91 154.94 7.4 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.276 0 O-C-N 118.898 -2.376 . . . . 0.0 107.805 -170.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.425 ' HE1' ' HG ' ' A' ' 66' ' ' LEU 0.256 3.9 t-80 -79.83 125.48 29.75 Favored 'General case' 0 C--N 1.375 1.695 0 CA-C-O 124.408 2.051 . . . . 0.0 107.673 174.587 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -57.28 -22.55 42.37 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 112.756 -2.02 . . . . 0.0 113.763 177.056 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -75.14 -28.04 59.99 Favored 'General case' 0 C--N 1.368 1.389 0 O-C-N 120.441 -1.412 . . . . 0.0 111.862 176.003 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 66.3 mt -69.05 -46.3 78.71 Favored 'Isoleucine or valine' 0 C--N 1.367 1.339 0 C-N-CA 127.549 2.34 . . . . 0.0 109.07 173.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.1 m -68.83 -32.64 55.57 Favored 'Isoleucine or valine' 0 C--N 1.361 1.101 0 C-N-CA 127.215 2.206 . . . . 0.0 112.658 176.21 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.408 ' CE1' ' CZ ' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -62.79 -51.8 65.67 Favored 'General case' 0 C--N 1.383 2.032 0 C-N-CA 127.284 2.234 . . . . 0.0 110.457 177.315 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -60.78 -30.32 69.97 Favored 'General case' 0 C--N 1.363 1.183 0 C-N-CA 129.562 3.145 . . . . 0.0 114.463 176.158 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -74.78 -43.82 52.82 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.35 1.46 . . . . 0.0 112.749 173.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -66.86 -52.4 43.97 Favored 'General case' 0 C--N 1.362 1.123 0 C-N-CA 130.157 3.383 . . . . 0.0 112.512 177.361 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.411 ' HB ' ' HA ' ' A' ' 55' ' ' HIS . 9.2 pt -73.05 -10.03 13.56 Favored 'Isoleucine or valine' 0 C--N 1.359 1.019 0 N-CA-C 116.529 2.048 . . . . 0.0 116.529 -177.769 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.3 m -84.86 51.79 2.25 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 127.16 2.184 . . . . 0.0 109.641 174.074 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 30.1 m-70 -150.54 -150.74 0.36 Allowed 'General case' 0 C--N 1.349 0.562 0 N-CA-C 101.55 -3.5 . . . . 0.0 101.55 -175.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.81 -39.98 69.48 Favored 'General case' 0 C--N 1.367 1.335 0 O-C-N 118.729 -2.482 . . . . 0.0 115.533 177.402 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -61.61 12.23 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.562 1 C-N-CA 133.783 4.833 . . . . 0.0 121.201 -173.253 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.411 ' HA ' ' HB ' ' A' ' 50' ' ' ILE 0.492 0.3 OUTLIER -41.9 68.13 0.0 OUTLIER 'General case' 0 C--N 1.369 1.454 1 N-CA-C 122.623 4.305 . . . . 0.0 122.623 -172.165 . . . . . . . . 5 4 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.418 HG21 HD13 ' A' ' 56' ' ' ILE . 25.4 mt -87.89 175.21 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.791 1 C-N-CA 134.2 5.0 . . . . 0.0 110.425 177.429 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -133.97 156.51 48.03 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 127.596 2.358 . . . . 0.0 105.231 167.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -25.22 64.83 Favored 'General case' 0 C--N 1.361 1.074 0 C-N-CA 128.746 2.818 . . . . 0.0 115.446 177.001 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . 0.252 4.5 m120 -86.16 1.68 49.72 Favored 'General case' 0 CA--C 1.566 1.583 0 C-N-CA 127.236 2.214 . . . . 0.0 112.822 -179.542 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -85.05 10.66 11.37 Favored 'General case' 0 C--N 1.389 2.305 0 C-N-CA 128.923 2.889 . . . . 0.0 112.809 169.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 10.4 p -115.66 175.3 5.59 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 127.879 2.471 . . . . 0.0 110.796 -176.246 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -85.08 2.41 43.51 Favored 'General case' 0 C--N 1.373 1.597 0 C-N-CA 126.951 2.1 . . . . 0.0 112.791 174.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.46 ' CD2' ' HB2' ' A' ' 69' ' ' PHE . 2.5 m-90 -99.73 107.38 19.45 Favored 'General case' 0 N--CA 1.438 -1.074 0 C-N-CA 130.09 3.356 . . . . 0.0 106.827 -178.283 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -65.05 -24.51 67.49 Favored 'General case' 0 C--N 1.367 1.368 0 C-N-CA 128.919 2.888 . . . . 0.0 115.299 -174.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.3 t -151.02 172.32 15.91 Favored 'General case' 0 N--CA 1.441 -0.896 0 N-CA-C 101.433 -3.543 . . . . 0.0 101.433 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.425 ' HG ' ' HE1' ' A' ' 41' ' ' HIS . 6.0 tp -62.1 -26.14 68.12 Favored 'General case' 0 C--N 1.366 1.305 0 C-N-CA 127.726 2.411 . . . . 0.0 112.298 179.031 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.658 HG23 ' CZ2' ' A' ' 88' ' ' TRP . 5.9 m -56.7 -49.45 75.08 Favored 'General case' 0 C--N 1.361 1.066 0 C-N-CA 128.062 2.545 . . . . 0.0 115.888 -179.468 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.363 86.8 m-20 -73.02 -25.72 61.06 Favored 'General case' 0 C--N 1.355 0.832 0 N-CA-C 117.13 2.27 . . . . 0.0 117.13 177.646 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.46 ' HB2' ' CD2' ' A' ' 63' ' ' TRP . 3.4 t80 -73.45 -38.94 65.31 Favored 'General case' 0 C--N 1.35 0.604 0 C-N-CA 127.09 2.156 . . . . 0.0 110.612 172.111 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.777 HG21 ' CE3' ' A' ' 88' ' ' TRP . 0.5 OUTLIER -69.87 -34.39 73.51 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 129.167 2.987 . . . . 0.0 110.557 175.583 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 45.1 mmtt -63.29 -46.51 86.44 Favored 'General case' 0 C--N 1.383 2.026 0 C-N-CA 124.519 1.128 . . . . 0.0 113.054 169.091 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.411 ' CZ2' ' HE1' ' A' ' 16' ' ' MET . 79.1 t90 -69.9 -53.87 16.0 Favored 'General case' 0 C--N 1.375 1.697 0 C-N-CA 126.682 1.993 . . . . 0.0 114.645 177.788 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.0 -35.96 82.87 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 129.269 3.027 . . . . 0.0 115.077 -179.564 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -63.84 -27.4 71.13 Favored Glycine 0 C--N 1.363 2.069 0 C-N-CA 128.562 2.982 . . . . 0.0 113.92 168.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 28.2 ttt-85 -79.09 -21.58 46.5 Favored 'General case' 0 C--N 1.36 1.053 0 N-CA-C 114.371 1.248 . . . . 0.0 114.371 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -85.14 -20.19 30.65 Favored 'General case' 0 C--N 1.357 0.904 0 N-CA-C 115.122 1.527 . . . . 0.0 115.122 -171.154 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 96.39 19.21 28.51 Favored Glycine 0 C--N 1.363 2.063 0 N-CA-C 111.288 -0.725 . . . . 0.0 111.288 -177.158 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.569 HD22 HD11 ' A' ' 28' ' ' LEU . 1.9 mt -100.49 -42.21 6.67 Favored 'General case' 0 CA--C 1.476 -1.869 0 C-N-CA 124.627 1.171 . . . . 0.0 110.716 179.185 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 4.9 m -132.84 153.16 51.56 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-O 122.756 1.265 . . . . 0.0 114.354 -176.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.404 ' HD3' HD11 ' A' ' 93' ' ' ILE . 0.1 OUTLIER -107.74 143.16 36.66 Favored 'General case' 0 C--O 1.218 -0.588 0 C-N-CA 128.277 2.631 . . . . 0.0 106.921 175.611 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -132.08 143.85 38.87 Favored 'Isoleucine or valine' 0 C--N 1.349 0.547 0 O-C-N 118.359 -2.713 . . . . 0.0 113.743 -171.457 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -140.97 154.56 46.1 Favored 'General case' 0 C--N 1.367 1.351 0 C-N-CA 127.088 2.155 . . . . 0.0 110.555 177.209 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -128.18 139.56 52.41 Favored 'General case' 0 C--N 1.373 1.598 0 O-C-N 120.581 -1.324 . . . . 0.0 111.372 175.363 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.41 ' HB ' ' CD ' ' A' ' 85' ' ' PRO . 62.3 p -122.92 174.77 3.14 Favored Pre-proline 0 C--N 1.359 1.018 0 C-N-CA 130.394 3.478 . . . . 0.0 110.331 -177.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.41 ' CD ' ' HB ' ' A' ' 84' ' ' THR . 21.9 Cg_exo -68.58 -1.57 7.73 Favored 'Trans proline' 0 N--CA 1.444 -1.414 0 N-CA-C 118.118 2.315 . . . . 0.0 118.118 165.527 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -113.99 -3.62 13.32 Favored 'General case' 0 C--N 1.36 1.031 0 CA-C-N 120.363 1.438 . . . . 0.0 112.007 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 141.01 -167.83 25.53 Favored Glycine 0 C--N 1.364 2.088 0 O-C-N 120.637 -1.289 . . . . 0.0 114.637 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.777 ' CE3' HG21 ' A' ' 70' ' ' THR . 68.4 m95 -94.06 126.12 39.1 Favored 'General case' 0 C--N 1.367 1.366 0 C-N-CA 126.725 2.01 . . . . 0.0 109.905 175.447 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -114.16 126.17 54.77 Favored 'General case' 0 CA--C 1.497 -1.064 0 N-CA-C 103.276 -2.861 . . . . 0.0 103.276 -179.564 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.7 pt -114.41 137.23 48.44 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.116 0 N-CA-C 104.933 -2.247 . . . . 0.0 104.933 178.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -116.04 122.8 46.27 Favored 'General case' 0 CA--C 1.484 -1.563 0 N-CA-C 103.166 -2.902 . . . . 0.0 103.166 169.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.415 ' HB2' HD11 ' A' ' 31' ' ' LEU 0.389 5.8 t80 -73.49 147.04 44.45 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.398 1.479 . . . . 0.0 111.22 178.776 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.404 HD11 ' HD3' ' A' ' 80' ' ' LYS . 2.8 mt -89.49 120.44 38.23 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.897 1 C-N-CA 133.344 4.658 . . . . 0.0 105.554 -179.852 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . 0.345 13.6 p30 -79.89 91.33 5.38 Favored 'General case' 0 C--N 1.366 1.293 0 CA-C-N 121.009 1.731 . . . . 0.0 111.641 179.519 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.534 ' HD2' HD23 ' A' ' 78' ' ' LEU . 1.4 mmp_? -40.12 -85.82 0.0 OUTLIER 'General case' 0 C--N 1.356 0.854 1 C-N-CA 132.672 4.389 . . . . 0.0 114.517 176.706 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -102.75 103.92 35.8 Favored Pre-proline 0 CA--C 1.536 0.439 0 CA-C-O 113.523 -3.132 . . . . 0.0 105.656 160.009 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -56.12 -25.08 53.0 Favored 'Trans proline' 0 C--N 1.371 1.711 2 C-N-CA 127.121 5.214 . . . . 0.0 117.02 -177.352 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -61.21 -35.27 76.75 Favored 'General case' 0 C--N 1.368 1.385 0 C-N-CA 127.644 2.378 . . . . 0.0 110.008 167.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.49 HG22 HD12 ' A' ' 100' ' ' ILE 0.268 0.4 OUTLIER -67.76 -41.79 82.78 Favored 'General case' 0 C--N 1.367 1.35 0 O-C-N 119.477 -2.014 . . . . 0.0 112.303 170.914 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.49 HD12 HG22 ' A' ' 99' ' ' THR . 1.8 mp -65.85 -50.05 72.98 Favored 'Isoleucine or valine' 0 C--N 1.37 1.465 0 CA-C-N 121.805 2.093 . . . . 0.0 111.677 174.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 75.0 mtp180 -69.07 -27.79 65.94 Favored 'General case' 0 C--N 1.365 1.258 0 O-C-N 120.029 -1.67 . . . . 0.0 114.225 177.445 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 55.8 mtm180 -77.87 -38.18 46.54 Favored 'General case' 0 C--N 1.371 1.537 0 C-N-CA 124.668 1.187 . . . . 0.0 110.57 171.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . 0.357 35.7 mt-30 -61.62 -34.42 75.62 Favored 'General case' 0 C--N 1.375 1.698 0 C-N-CA 125.907 1.683 . . . . 0.0 115.037 175.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.55 -57.41 3.36 Favored 'General case' 0 C--N 1.357 0.915 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 173.493 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -83.48 -58.83 2.66 Favored 'General case' 0 C--N 1.365 1.273 0 N-CA-C 119.898 3.295 . . . . 0.0 119.898 -169.348 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -83.76 -49.4 9.13 Favored 'General case' 0 C--N 1.364 1.207 0 C-N-CA 128.743 2.817 . . . . 0.0 116.05 -173.24 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -64.97 -21.06 66.78 Favored 'General case' 0 C--N 1.371 1.514 0 C-N-CA 127.01 2.124 . . . . 0.0 113.373 -177.259 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -87.51 -1.96 58.29 Favored 'General case' 0 C--N 1.347 0.498 0 CA-C-N 113.152 -1.84 . . . . 0.0 115.003 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -80.94 64.53 5.73 Favored 'General case' 0 C--N 1.352 0.689 0 C-N-CA 127.946 2.498 . . . . 0.0 112.931 177.25 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -68.7 55.42 0.08 Allowed 'General case' 0 C--N 1.363 1.176 0 C-N-CA 128.851 2.86 . . . . 0.0 116.146 -175.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 65.4 tttm . . . . . 0 C--N 1.355 0.805 0 C-N-CA 125.933 1.693 . . . . 0.0 109.728 -179.512 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.491 -1.437 0 N-CA-C 109.827 -1.309 . . . . 0.0 109.827 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 60.0 mm-40 -128.56 145.47 51.12 Favored 'General case' 0 CA--C 1.506 -0.725 0 C-N-CA 126.006 1.722 . . . . 0.0 107.393 178.274 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 76.06 30.13 0.74 Allowed 'General case' 0 C--N 1.362 1.116 0 C-N-CA 126.965 2.106 . . . . 0.0 116.007 175.051 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 10.5 tp-100 -90.95 -46.59 8.08 Favored 'General case' 0 C--N 1.365 1.271 0 C-N-CA 124.79 1.236 . . . . 0.0 112.864 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.8 mt 81.21 48.55 0.02 OUTLIER 'General case' 0 C--N 1.368 1.39 0 C-N-CA 128.772 2.829 . . . . 0.0 109.091 -176.153 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -96.44 -38.62 9.96 Favored 'General case' 0 C--N 1.36 1.054 0 C-N-CA 126.083 1.753 . . . . 0.0 113.333 -170.491 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.373 3.3 pp 148.37 -23.43 0.0 OUTLIER 'General case' 0 CA--C 1.481 -1.695 1 C-N-CA 132.483 4.313 . . . . 0.0 107.979 -178.71 . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 77.4 -47.15 0.49 Allowed 'General case' 0 C--N 1.36 1.03 0 N-CA-C 117.394 2.368 . . . . 0.0 117.394 170.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.0 m -173.34 -65.85 0.02 OUTLIER 'General case' 0 CA--C 1.506 -0.746 0 C-N-CA 126.306 1.842 . . . . 0.0 109.281 175.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.2 mp0 -100.7 -138.34 0.33 Allowed 'General case' 0 CA--C 1.541 0.605 0 CA-C-O 123.283 1.516 . . . . 0.0 114.279 -177.46 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -142.92 81.56 12.84 Favored Pre-proline 0 C--N 1.358 0.949 0 O-C-N 118.916 -2.365 . . . . 0.0 112.166 -177.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -74.32 54.87 3.42 Favored 'Trans proline' 0 CA--C 1.549 1.234 0 C-N-CA 123.998 3.132 . . . . 0.0 114.108 176.023 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -75.75 51.51 0.62 Allowed 'General case' 0 C--N 1.37 1.49 0 C-N-CA 128.357 2.663 . . . . 0.0 110.987 177.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . 0.275 0.0 OUTLIER 61.19 20.88 11.39 Favored 'General case' 0 C--N 1.37 1.48 0 C-N-CA 129.573 3.149 . . . . 0.0 111.389 -165.916 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . 0.295 64.2 m-85 74.26 25.81 1.69 Allowed 'General case' 0 C--N 1.371 1.539 1 C-N-CA 132.898 4.479 . . . . 0.0 112.948 -177.493 . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -60.25 -38.0 82.14 Favored 'General case' 0 C--N 1.381 1.941 0 C-N-CA 128.304 2.642 . . . . 0.0 115.481 -178.69 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -57.02 -54.69 43.89 Favored 'General case' 0 C--N 1.363 1.185 0 C-N-CA 126.166 1.786 . . . . 0.0 114.043 176.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -70.33 -51.82 27.25 Favored 'General case' 0 C--N 1.36 1.032 0 C-N-CA 124.833 1.253 . . . . 0.0 114.346 172.281 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.266 20.4 m-85 -73.15 -36.13 66.59 Favored 'General case' 0 C--N 1.367 1.36 0 N-CA-C 115.433 1.642 . . . . 0.0 115.433 -175.612 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . 0.277 60.4 p -71.94 -31.8 66.7 Favored 'General case' 0 C--N 1.37 1.465 0 O-C-N 119.693 -1.879 . . . . 0.0 113.489 173.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -70.55 -48.78 53.74 Favored 'General case' 0 C--N 1.369 1.415 0 C-N-CA 124.916 1.287 . . . . 0.0 112.891 170.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -63.72 -44.79 92.55 Favored 'General case' 0 C--N 1.373 1.627 0 C-N-CA 125.375 1.47 . . . . 0.0 114.057 176.361 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.435 ' CE1' ' CE2' ' A' ' 46' ' ' TYR . 9.0 t80 -65.33 -52.5 53.52 Favored 'General case' 0 C--N 1.377 1.765 0 C-N-CA 126.305 1.842 . . . . 0.0 111.441 173.274 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 55.7 ttp85 -68.13 -28.51 67.38 Favored 'General case' 0 C--N 1.365 1.254 0 CA-C-N 121.703 2.047 . . . . 0.0 115.462 178.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -70.64 -51.62 26.74 Favored 'General case' 0 C--N 1.367 1.341 0 O-C-N 120.126 -1.609 . . . . 0.0 113.485 173.362 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -76.22 -31.92 58.65 Favored 'General case' 0 C--N 1.368 1.394 0 CA-C-N 119.943 1.247 . . . . 0.0 113.137 178.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -71.55 -39.66 70.53 Favored 'General case' 0 C--N 1.361 1.099 0 C-N-CA 125.709 1.604 . . . . 0.0 112.452 175.232 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.63 -46.21 73.16 Favored 'General case' 0 C--N 1.387 2.198 0 CA-C-N 121.721 2.055 . . . . 0.0 109.454 178.006 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -54.78 -50.86 67.45 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 128.11 2.564 . . . . 0.0 115.313 174.236 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . 0.456 0.0 OUTLIER -75.18 -34.24 61.53 Favored 'General case' 0 C--N 1.374 1.634 0 C-N-CA 126.236 1.815 . . . . 0.0 115.473 175.533 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.6 -53.21 60.26 Favored 'General case' 0 C--N 1.376 1.746 0 C-N-CA 129.61 3.164 . . . . 0.0 110.701 170.301 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 71.9 mtm180 -62.56 -39.45 93.69 Favored 'General case' 0 C--N 1.358 0.952 0 C-N-CA 128.046 2.539 . . . . 0.0 116.696 174.684 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . 0.292 9.8 ptt-85 -72.26 -53.44 12.5 Favored 'General case' 0 C--N 1.375 1.692 0 CA-C-N 123.161 2.71 . . . . 0.0 117.833 164.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.4 mmt85 -82.3 -30.56 30.48 Favored 'General case' 0 C--N 1.356 0.869 0 O-C-N 120.774 -1.204 . . . . 0.0 114.126 -165.472 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -113.82 -32.99 5.93 Favored 'General case' 0 C--N 1.357 0.893 0 C-N-CA 125.989 1.716 . . . . 0.0 110.461 -176.147 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.417 ' HA2' HG23 ' A' ' 100' ' ' ILE . . . 77.99 -112.54 3.51 Favored Glycine 0 C--N 1.386 3.349 0 O-C-N 119.443 -2.036 . . . . 0.0 111.347 -169.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.485 HG22 ' CD1' ' A' ' 92' ' ' TYR . 5.0 p -127.28 107.95 10.44 Favored 'General case' 0 N--CA 1.437 -1.095 1 N-CA-C 99.856 -4.128 . . . . 0.0 99.856 168.916 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.3 ttmt -147.67 148.2 30.79 Favored 'General case' 0 CA--C 1.497 -1.059 0 C-N-CA 125.104 1.362 . . . . 0.0 107.745 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.31 108.35 4.73 Favored 'General case' 0 C--N 1.363 1.174 0 O-C-N 120.437 -1.415 . . . . 0.0 109.342 170.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.3 p -137.89 155.6 30.42 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.613 0 N-CA-C 103.866 -2.642 . . . . 0.0 103.866 -174.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.419 ' CD2' ' O ' ' A' ' 88' ' ' TRP . 63.8 t-80 -86.14 121.31 28.56 Favored 'General case' 0 C--N 1.353 0.748 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 175.419 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.439 ' HB3' HD21 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -55.96 -28.11 55.58 Favored 'General case' 0 C--N 1.361 1.082 0 N-CA-C 116.178 1.918 . . . . 0.0 116.178 -173.69 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.385 0.1 OUTLIER -72.47 -27.67 62.44 Favored 'General case' 0 C--N 1.366 1.284 0 O-C-N 120.591 -1.318 . . . . 0.0 112.537 171.946 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.9 mt -65.92 -42.98 93.03 Favored 'Isoleucine or valine' 0 C--N 1.366 1.321 0 C-N-CA 127.011 2.124 . . . . 0.0 111.255 170.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . 0.531 0.9 OUTLIER -74.46 -29.48 24.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 124.543 1.137 . . . . 0.0 112.906 175.835 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.435 ' CE2' ' CE1' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -65.06 -54.42 30.46 Favored 'General case' 0 C--N 1.382 1.992 0 C-N-CA 127.18 2.192 . . . . 0.0 107.412 169.206 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.444 ' HA ' HG12 ' A' ' 50' ' ' ILE . 14.0 m120 -59.1 -27.55 65.68 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 117.635 2.457 . . . . 0.0 117.635 175.317 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -71.77 -40.25 69.4 Favored 'General case' 0 C--N 1.364 1.228 0 C-N-CA 126.27 1.828 . . . . 0.0 112.33 171.512 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . 0.328 0.2 OUTLIER -69.89 -37.97 76.18 Favored 'General case' 0 CA--C 1.55 0.977 1 C-N-CA 131.776 4.03 . . . . 0.0 113.834 172.481 . . . . . . . . 4 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.585 HG23 ' CD2' ' A' ' 55' ' ' HIS . 0.1 OUTLIER -58.75 -39.11 75.81 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.524 1 C-N-CA 131.788 4.035 . . . . 0.0 114.986 -173.007 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 33.9 m -91.2 73.01 6.26 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 121.474 0.654 . . . . 0.0 112.52 175.359 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 40.8 m-70 -159.65 -158.78 0.68 Allowed 'General case' 0 C--N 1.361 1.076 0 C-N-CA 126.819 2.047 . . . . 0.0 107.012 -178.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.17 -24.83 60.6 Favored 'General case' 0 C--N 1.371 1.533 0 C-N-CA 128.082 2.553 . . . . 0.0 116.496 178.05 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -92.16 11.27 26.11 Favored 'General case' 0 N--CA 1.439 -0.996 1 C-N-CA 133.939 4.895 . . . . 0.0 117.839 -168.474 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.585 ' CD2' HG23 ' A' ' 50' ' ' ILE 0.273 10.8 t-80 -52.17 85.27 0.0 OUTLIER 'General case' 0 C--N 1.364 1.226 0 N-CA-C 119.176 3.028 . . . . 0.0 119.176 -175.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.451 HG23 ' HB3' ' A' ' 60' ' ' ALA . 83.1 mt -114.36 130.66 68.27 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.222 1 C-N-CA 131.714 4.006 . . . . 0.0 103.502 176.269 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.512 ' CE1' HG13 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -110.68 165.87 11.48 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 103.135 -2.913 . . . . 0.0 103.135 169.624 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 42.3 tpp -51.37 -16.21 0.52 Allowed 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 129.612 3.165 . . . . 0.0 117.564 -175.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . 0.271 10.6 m-80 -78.4 -21.85 48.69 Favored 'General case' 0 N--CA 1.415 -2.216 1 C-N-CA 133.672 4.789 . . . . 0.0 112.98 -175.93 . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.451 ' HB3' HG23 ' A' ' 56' ' ' ILE . . . -92.19 31.29 1.3 Allowed 'General case' 0 C--N 1.37 1.476 0 C-N-CA 128.301 2.64 . . . . 0.0 116.089 179.551 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.405 HG21 ' CZ3' ' A' ' 63' ' ' TRP 0.354 3.5 t -160.9 -174.8 4.58 Favored 'General case' 0 C--N 1.362 1.118 0 O-C-N 120.667 -1.271 . . . . 0.0 112.42 -170.688 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -93.57 7.07 46.1 Favored 'General case' 0 C--N 1.369 1.434 0 C-N-CA 131.198 3.799 . . . . 0.0 114.711 -172.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.405 ' CZ3' HG21 ' A' ' 61' ' ' THR . 0.9 OUTLIER -109.17 152.65 24.85 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 128.604 2.761 . . . . 0.0 105.099 177.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -117.98 -56.73 2.16 Favored 'General case' 0 C--N 1.358 0.941 0 CA-C-N 120.697 1.59 . . . . 0.0 114.284 -175.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 70.1 p -87.6 -64.84 1.09 Allowed 'General case' 0 C--N 1.356 0.852 0 C-N-CA 126.067 1.747 . . . . 0.0 114.112 -171.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.439 HD21 ' HB3' ' A' ' 42' ' ' ASN 0.25 1.9 tp 173.97 -34.91 0.0 OUTLIER 'General case' 0 CA--C 1.506 -0.728 0 C-N-CA 130.441 3.496 . . . . 0.0 102.37 174.948 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.645 HG23 ' CZ2' ' A' ' 88' ' ' TRP . 13.5 m -56.42 -44.4 80.32 Favored 'General case' 0 CA--C 1.484 -1.566 1 C-N-CA 133.07 4.548 . . . . 0.0 113.501 -173.783 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.4 -28.89 63.27 Favored 'General case' 0 C--N 1.344 0.352 0 N-CA-C 116.436 2.013 . . . . 0.0 116.436 175.322 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -76.18 -32.85 59.23 Favored 'General case' 0 C--N 1.364 1.236 0 C-N-CA 125.595 1.558 . . . . 0.0 109.961 171.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.485 ' HB ' HG21 ' A' ' 81' ' ' VAL 0.309 0.6 OUTLIER -72.23 -36.21 69.07 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 126.398 1.879 . . . . 0.0 111.066 174.867 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 25.1 mmtt -62.27 -39.09 91.76 Favored 'General case' 0 C--N 1.377 1.798 0 N-CA-C 115.45 1.648 . . . . 0.0 115.45 166.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 91.5 t90 -80.57 -55.0 5.16 Favored 'General case' 0 C--N 1.362 1.142 0 C-N-CA 126.02 1.728 . . . . 0.0 113.89 -179.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.62 -35.28 80.35 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 128.403 2.681 . . . . 0.0 116.221 177.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -62.04 -27.21 68.46 Favored Glycine 0 C--N 1.359 1.844 0 C-N-CA 128.067 2.746 . . . . 0.0 114.795 166.305 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 31.2 ttp180 -73.99 -27.63 61.07 Favored 'General case' 0 C--N 1.361 1.097 0 N-CA-C 114.948 1.462 . . . . 0.0 114.948 179.369 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -82.79 -20.71 35.26 Favored 'General case' 0 C--N 1.356 0.85 0 N-CA-C 116.915 2.191 . . . . 0.0 116.915 -169.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.59 20.86 15.9 Favored Glycine 0 C--N 1.363 2.037 0 O-C-N 121.185 -0.947 . . . . 0.0 111.36 -177.255 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.92 -43.1 4.95 Favored 'General case' 0 CA--C 1.468 -2.182 0 C-N-CA 123.868 0.867 . . . . 0.0 110.55 177.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 92' ' ' TYR . 13.1 m -128.53 147.37 50.69 Favored 'General case' 0 C--O 1.224 -0.271 0 N-CA-C 116.296 1.961 . . . . 0.0 116.296 -176.39 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -103.18 143.39 32.69 Favored 'General case' 0 C--N 1.359 0.98 0 C-N-CA 127.641 2.376 . . . . 0.0 107.754 172.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.485 HG21 ' HB ' ' A' ' 70' ' ' THR . 0.2 OUTLIER -131.28 142.16 44.1 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 O-C-N 119.084 -2.26 . . . . 0.0 112.943 -172.36 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -143.26 151.35 40.46 Favored 'General case' 0 C--N 1.364 1.206 0 C-N-CA 124.958 1.303 . . . . 0.0 110.132 174.234 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -122.96 139.49 54.01 Favored 'General case' 0 C--N 1.367 1.361 0 O-C-N 120.135 -1.603 . . . . 0.0 110.529 178.048 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.428 ' HB ' ' CD ' ' A' ' 85' ' ' PRO . 43.5 p -123.26 174.96 3.04 Favored Pre-proline 0 C--N 1.359 1.006 0 C-N-CA 129.262 3.025 . . . . 0.0 109.907 -177.391 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.428 ' CD ' ' HB ' ' A' ' 84' ' ' THR . 22.6 Cg_exo -68.94 -1.62 8.12 Favored 'Trans proline' 0 N--CA 1.442 -1.537 0 N-CA-C 118.176 2.337 . . . . 0.0 118.176 166.075 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 29.4 ttpt -112.78 -5.9 13.87 Favored 'General case' 0 C--N 1.361 1.092 0 CA-C-N 120.189 1.359 . . . . 0.0 112.464 -179.249 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 149.74 -164.35 29.49 Favored Glycine 0 C--N 1.362 2.012 0 O-C-N 120.635 -1.291 . . . . 0.0 115.126 -178.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.645 ' CZ2' HG23 ' A' ' 67' ' ' THR . 15.2 m95 -101.87 119.4 38.72 Favored 'General case' 0 C--N 1.364 1.236 0 C-N-CA 127.949 2.5 . . . . 0.0 107.52 175.409 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -114.54 125.8 54.2 Favored 'General case' 0 CA--C 1.501 -0.927 0 N-CA-C 105.471 -2.048 . . . . 0.0 105.471 -178.048 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -116.2 137.56 49.56 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.935 0 C-N-CA 127.178 2.191 . . . . 0.0 105.907 178.796 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -122.42 124.98 44.89 Favored 'General case' 0 N--CA 1.429 -1.522 0 N-CA-C 103.054 -2.943 . . . . 0.0 103.054 172.02 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.485 ' CD1' HG22 ' A' ' 37' ' ' THR 0.511 0.4 OUTLIER -74.23 147.24 42.65 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 125.667 1.587 . . . . 0.0 112.701 -179.781 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 5.4 mt -86.81 119.99 35.58 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.95 1 C-N-CA 133.683 4.793 . . . . 0.0 105.458 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . 0.284 14.0 p30 -76.68 84.88 3.32 Favored 'General case' 0 C--N 1.36 1.036 0 O-C-N 119.872 -1.767 . . . . 0.0 113.85 -178.546 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 -37.82 -86.47 0.0 OUTLIER 'General case' 0 C--N 1.367 1.333 0 C-N-CA 131.526 3.93 . . . . 0.0 115.251 177.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -103.03 106.78 52.56 Favored Pre-proline 0 CA--C 1.533 0.302 0 CA-C-O 112.9 -3.428 . . . . 0.0 105.907 158.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -53.86 -25.92 37.33 Favored 'Trans proline' 0 C--N 1.374 1.905 2 C-N-CA 127.563 5.509 . . . . 0.0 116.838 -178.124 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -54.67 -43.69 72.64 Favored 'General case' 0 C--N 1.362 1.147 0 C-N-CA 129.223 3.009 . . . . 0.0 110.598 166.244 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -57.99 -44.52 87.22 Favored 'General case' 0 C--N 1.37 1.459 0 O-C-N 119.726 -1.859 . . . . 0.0 113.74 175.16 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.417 HG23 ' HA2' ' A' ' 36' ' ' GLY . 2.7 mp -68.37 -50.13 59.89 Favored 'Isoleucine or valine' 0 C--N 1.361 1.071 0 C-N-CA 128.981 2.912 . . . . 0.0 111.96 174.404 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -63.87 -35.97 82.41 Favored 'General case' 0 C--N 1.367 1.339 0 O-C-N 120.01 -1.681 . . . . 0.0 113.656 176.549 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 11.6 mmp_? -73.15 -40.02 65.22 Favored 'General case' 0 C--N 1.367 1.342 0 C-N-CA 125.122 1.369 . . . . 0.0 110.355 170.203 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . 0.389 28.1 mt-30 -62.28 -35.78 80.06 Favored 'General case' 0 C--N 1.372 1.572 0 N-CA-C 116.228 1.936 . . . . 0.0 116.228 174.243 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 100' ' ' ILE . 0.2 OUTLIER -81.61 -53.01 6.6 Favored 'General case' 0 C--N 1.356 0.85 0 O-C-N 120.511 -1.368 . . . . 0.0 112.241 175.606 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -78.08 -42.3 32.58 Favored 'General case' 0 C--N 1.36 1.062 0 N-CA-C 117.819 2.526 . . . . 0.0 117.819 -172.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 10.7 mt -83.28 -47.54 11.41 Favored 'General case' 0 C--N 1.362 1.147 0 C-N-CA 124.8 1.24 . . . . 0.0 114.294 -178.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -67.84 -17.58 64.54 Favored 'General case' 0 C--N 1.364 1.198 0 C-N-CA 127.613 2.365 . . . . 0.0 113.82 -178.684 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -130.33 41.23 3.43 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 112.965 -1.925 . . . . 0.0 112.504 177.221 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -82.63 68.61 9.16 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 127.136 2.175 . . . . 0.0 114.531 -176.587 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm -73.79 55.96 0.54 Allowed 'General case' 0 C--N 1.35 0.592 0 N-CA-C 117.046 2.239 . . . . 0.0 117.046 -176.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp . . . . . 0 C--N 1.359 0.996 0 C-N-CA 126.09 1.756 . . . . 0.0 110.14 176.556 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.494 -1.265 0 N-CA-C 109.296 -1.521 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -154.49 -179.78 8.29 Favored 'General case' 0 C--N 1.352 0.692 0 C-N-CA 124.971 1.308 . . . . 0.0 108.46 -178.38 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . 0.273 15.9 tpt180 76.37 -42.23 0.43 Allowed 'General case' 0 C--N 1.361 1.073 0 C-N-CA 128.609 2.764 . . . . 0.0 117.379 173.229 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 12.7 tp60 -82.4 -40.67 20.95 Favored 'General case' 0 C--N 1.36 1.031 0 C-N-CA 128.125 2.57 . . . . 0.0 111.183 175.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.0 mt 80.39 71.02 0.03 OUTLIER 'General case' 0 C--N 1.362 1.124 0 C-N-CA 129.511 3.124 . . . . 0.0 111.911 -178.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -57.1 152.45 13.37 Favored 'General case' 0 C--N 1.367 1.331 0 C-N-CA 129.761 3.224 . . . . 0.0 117.466 -176.383 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 69.7 mt -112.2 13.21 20.48 Favored 'General case' 0 C--N 1.363 1.158 0 N-CA-C 114.845 1.424 . . . . 0.0 114.845 -177.34 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 65.78 -30.9 0.14 Allowed 'General case' 0 C--N 1.357 0.916 0 N-CA-C 120.433 3.494 . . . . 0.0 120.433 170.389 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.3 p -56.83 -76.57 0.03 OUTLIER 'General case' 0 C--N 1.363 1.162 1 C-N-CA 133.143 4.577 . . . . 0.0 114.823 178.498 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -115.56 124.58 51.37 Favored 'General case' 0 CA--C 1.509 -0.602 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 171.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -110.49 104.9 56.68 Favored Pre-proline 0 N--CA 1.442 -0.857 0 C-N-CA 125.936 1.694 . . . . 0.0 110.532 -177.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -64.58 58.04 0.26 Allowed 'Trans proline' 0 CA--C 1.547 1.164 1 C-N-CA 126.113 4.542 . . . . 0.0 117.492 177.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -78.32 59.9 2.42 Favored 'General case' 0 C--N 1.366 1.287 0 C-N-CA 129.439 3.096 . . . . 0.0 109.385 177.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . 0.388 31.9 mt-30 61.21 16.0 6.86 Favored 'General case' 0 C--N 1.366 1.292 0 C-N-CA 131.608 3.963 . . . . 0.0 113.328 -167.322 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . 0.302 48.3 m-85 81.78 27.05 0.18 Allowed 'General case' 0 C--N 1.366 1.321 0 C-N-CA 130.765 3.626 . . . . 0.0 112.239 178.767 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 12.4 tpt -41.6 -37.96 1.25 Allowed 'General case' 0 C--N 1.379 1.856 1 C-N-CA 133.26 4.624 . . . . 0.0 116.503 175.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -58.93 -36.07 74.15 Favored 'General case' 0 C--N 1.362 1.144 0 C-N-CA 126.875 2.07 . . . . 0.0 115.01 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -70.07 -52.08 26.77 Favored 'General case' 0 C--N 1.36 1.058 0 C-N-CA 126.563 1.945 . . . . 0.0 113.644 175.384 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -73.83 -40.52 63.28 Favored 'General case' 0 C--N 1.355 0.847 0 C-N-CA 127.978 2.511 . . . . 0.0 114.112 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . 0.352 79.5 p -72.55 -30.78 64.72 Favored 'General case' 0 C--N 1.37 1.492 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 177.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -70.46 -41.93 72.14 Favored 'General case' 0 C--N 1.366 1.302 0 CA-C-N 120.67 1.577 . . . . 0.0 113.752 170.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -67.9 -45.84 73.3 Favored 'General case' 0 C--N 1.365 1.275 0 CA-C-N 121.482 1.947 . . . . 0.0 113.394 174.413 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.462 ' CZ ' ' CE2' ' A' ' 46' ' ' TYR . 14.0 t80 -63.91 -52.1 61.45 Favored 'General case' 0 C--N 1.371 1.519 0 C-N-CA 124.814 1.246 . . . . 0.0 112.349 173.63 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.557 ' HE ' HD23 ' A' ' 28' ' ' LEU 0.344 0.0 OUTLIER -69.89 -28.97 66.07 Favored 'General case' 0 C--N 1.363 1.153 0 CA-C-N 121.094 1.77 . . . . 0.0 115.6 175.973 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -67.3 -52.41 40.92 Favored 'General case' 0 C--N 1.375 1.694 0 O-C-N 119.011 -2.306 . . . . 0.0 112.579 171.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -76.23 -50.92 13.18 Favored 'General case' 0 C--N 1.36 1.033 0 N-CA-C 115.567 1.691 . . . . 0.0 115.567 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.41 ' HB3' ' O ' ' A' ' 23' ' ' PHE . 12.4 t80 -62.15 -46.07 90.6 Favored 'General case' 0 C--N 1.369 1.45 0 C-N-CA 126.839 2.055 . . . . 0.0 112.878 176.189 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.557 HD23 ' HE ' ' A' ' 24' ' ' ARG 0.346 0.0 OUTLIER -67.85 -32.73 73.46 Favored 'General case' 0 C--N 1.371 1.53 0 CA-C-N 119.457 1.026 . . . . 0.0 112.4 -179.977 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -65.55 -48.63 71.79 Favored 'General case' 0 C--N 1.385 2.118 0 C-N-CA 125.535 1.534 . . . . 0.0 115.072 168.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 tt -65.34 -34.78 79.14 Favored 'General case' 0 C--N 1.358 0.937 0 C-N-CA 128.918 2.887 . . . . 0.0 113.319 178.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 tt -64.14 -51.91 61.61 Favored 'General case' 0 C--N 1.365 1.252 0 C-N-CA 130.219 3.408 . . . . 0.0 109.41 169.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 33.7 mtm180 -59.31 -46.11 89.46 Favored 'General case' 0 C--N 1.369 1.443 0 C-N-CA 127.09 2.156 . . . . 0.0 116.493 173.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . 0.415 0.8 OUTLIER -73.1 -53.2 11.65 Favored 'General case' 0 C--N 1.365 1.279 0 N-CA-C 121.781 3.993 . . . . 0.0 121.781 169.531 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.4 mtt180 -82.91 -35.07 26.42 Favored 'General case' 0 C--N 1.349 0.563 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 -171.339 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -107.51 -37.47 6.19 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 125.548 1.539 . . . . 0.0 110.69 -176.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 78.05 -104.35 2.0 Favored Glycine 0 C--N 1.38 3.008 0 CA-C-O 124.293 2.051 . . . . 0.0 110.618 -169.463 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.7 p -134.85 108.15 7.77 Favored 'General case' 0 N--CA 1.437 -1.09 0 N-CA-C 103.485 -2.783 . . . . 0.0 103.485 171.239 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -147.42 152.11 37.58 Favored 'General case' 0 CA--C 1.51 -0.591 0 C-N-CA 125.525 1.53 . . . . 0.0 107.815 178.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.12 108.37 11.37 Favored 'General case' 0 C--N 1.363 1.175 0 C-N-CA 125.445 1.498 . . . . 0.0 110.298 172.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.7 p -149.26 152.61 11.82 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.246 0 N-CA-C 105.32 -2.104 . . . . 0.0 105.32 -173.617 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.446 ' HE1' ' HG ' ' A' ' 66' ' ' LEU . 0.8 OUTLIER -84.0 138.0 33.33 Favored 'General case' 0 C--N 1.367 1.361 0 CA-C-O 123.308 1.528 . . . . 0.0 109.02 177.901 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.627 ' HB2' HD21 ' A' ' 66' ' ' LEU . 0.9 OUTLIER -57.21 -29.49 63.77 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 115.447 1.647 . . . . 0.0 115.447 -179.389 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -67.24 -27.76 67.49 Favored 'General case' 0 C--N 1.367 1.351 0 C-N-CA 128.352 2.661 . . . . 0.0 111.953 176.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.8 mt -75.88 -41.76 39.48 Favored 'Isoleucine or valine' 0 C--N 1.366 1.313 0 C-N-CA 125.967 1.707 . . . . 0.0 110.189 170.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.4 m -73.17 -38.64 55.19 Favored 'Isoleucine or valine' 0 C--N 1.37 1.492 0 C-N-CA 124.771 1.228 . . . . 0.0 113.018 179.157 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.462 ' CE2' ' CZ ' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -60.02 -51.34 70.05 Favored 'General case' 0 C--N 1.385 2.143 0 C-N-CA 129.305 3.042 . . . . 0.0 110.849 176.329 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -63.1 -26.41 68.82 Favored 'General case' 0 C--N 1.363 1.181 0 C-N-CA 130.005 3.322 . . . . 0.0 113.851 174.331 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -78.3 -42.07 31.91 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 125.19 1.396 . . . . 0.0 112.119 173.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.489 ' CD1' HG23 ' A' ' 50' ' ' ILE 0.266 0.4 OUTLIER -64.84 -48.13 75.45 Favored 'General case' 0 C--N 1.358 0.97 0 C-N-CA 130.671 3.588 . . . . 0.0 113.205 177.663 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.489 HG23 ' CD1' ' A' ' 49' ' ' TYR . 8.9 pt -80.42 -1.35 4.68 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.773 1 N-CA-C 121.919 4.044 . . . . 0.0 121.919 -175.087 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.5 t -79.86 0.9 29.13 Favored 'General case' 0 CA--C 1.554 1.124 0 C-N-CA 124.027 0.931 . . . . 0.0 112.74 174.521 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -94.91 -164.97 1.23 Allowed 'General case' 0 CA--C 1.554 1.127 1 C-N-CA 132.282 4.233 . . . . 0.0 106.717 172.168 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.8 -39.75 86.03 Favored 'General case' 0 C--N 1.371 1.515 0 N-CA-C 118.308 2.707 . . . . 0.0 118.308 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -64.0 11.67 0.04 OUTLIER 'General case' 0 CA--C 1.497 -1.074 1 C-N-CA 135.851 5.66 . . . . 0.0 121.58 -169.744 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . 0.309 60.8 t60 -46.43 98.87 0.02 OUTLIER 'General case' 0 C--N 1.367 1.358 0 N-CA-C 117.291 2.33 . . . . 0.0 117.291 179.451 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.417 ' O ' HG21 ' A' ' 50' ' ' ILE . 30.9 mt -130.75 157.58 43.08 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.269 2 C-N-CA 133.786 4.835 . . . . 0.0 99.897 -179.349 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.443 ' CE1' ' CD1' ' A' ' 50' ' ' ILE . 0.1 OUTLIER -134.09 156.85 47.53 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 102.716 -3.068 . . . . 0.0 102.716 166.121 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.51 -13.01 0.19 Allowed 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 130.104 3.362 . . . . 0.0 119.61 -172.416 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . 0.268 12.0 m120 -81.1 -25.78 36.73 Favored 'General case' 0 N--CA 1.427 -1.588 1 C-N-CA 134.588 5.155 . . . . 0.0 109.149 -177.955 . . . . . . . . 3 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -84.92 51.19 2.09 Favored 'General case' 0 C--N 1.382 2.004 0 C-N-CA 127.437 2.295 . . . . 0.0 111.987 168.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 14.3 p -145.85 -169.62 3.28 Favored 'General case' 0 C--N 1.354 0.785 0 O-C-N 120.724 -1.235 . . . . 0.0 109.652 -173.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 24.9 pt20 -97.58 1.16 48.53 Favored 'General case' 0 C--N 1.371 1.524 0 C-N-CA 125.79 1.636 . . . . 0.0 110.908 171.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.402 ' CE3' ' HB2' ' A' ' 69' ' ' PHE . 1.9 m-90 -103.25 110.51 22.52 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 127.956 2.502 . . . . 0.0 108.491 -173.636 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -73.28 -12.4 60.84 Favored 'General case' 0 C--N 1.367 1.361 0 C-N-CA 126.474 1.91 . . . . 0.0 115.592 -175.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 t -160.6 158.19 28.56 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 102.037 -3.32 . . . . 0.0 102.037 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.627 HD21 ' HB2' ' A' ' 42' ' ' ASN . 8.7 tp -56.18 -30.74 62.65 Favored 'General case' 0 C--N 1.369 1.454 0 C-N-CA 130.68 3.592 . . . . 0.0 115.583 -173.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.532 HG22 ' HZ2' ' A' ' 71' ' ' LYS . 93.3 m -58.75 -40.66 84.52 Favored 'General case' 0 C--N 1.347 0.486 1 C-N-CA 131.728 4.011 . . . . 0.0 114.452 174.759 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -72.87 -27.7 62.07 Favored 'General case' 0 C--N 1.362 1.117 0 C-N-CA 126.434 1.894 . . . . 0.0 115.439 176.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.402 ' HB2' ' CE3' ' A' ' 63' ' ' TRP . 1.5 t80 -72.79 -38.21 67.31 Favored 'General case' 0 C--N 1.359 0.99 0 C-N-CA 128.412 2.685 . . . . 0.0 109.517 173.047 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . 0.319 0.6 OUTLIER -72.17 -34.32 68.36 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 126.488 1.915 . . . . 0.0 113.028 176.825 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.532 ' HZ2' HG22 ' A' ' 67' ' ' THR . 16.2 mmtm -62.88 -41.15 99.3 Favored 'General case' 0 C--N 1.375 1.696 0 C-N-CA 126.171 1.788 . . . . 0.0 114.046 167.555 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 89.0 t90 -76.69 -48.63 18.31 Favored 'General case' 0 C--N 1.373 1.611 0 C-N-CA 126.742 2.017 . . . . 0.0 112.823 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . 0.526 0.0 OUTLIER -65.62 -34.07 77.37 Favored 'General case' 0 C--N 1.358 0.948 0 C-N-CA 126.786 2.034 . . . . 0.0 115.488 176.651 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.42 ' HA2' ' O ' ' A' ' 79' ' ' CYS . . . -63.63 -28.05 71.94 Favored Glycine 0 C--N 1.367 2.305 0 C-N-CA 128.314 2.864 . . . . 0.0 115.094 163.527 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 36.4 ttt85 -76.74 -36.59 57.0 Favored 'General case' 0 C--N 1.36 1.042 0 C-N-CA 126.103 1.761 . . . . 0.0 113.658 177.613 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -72.86 -13.4 61.27 Favored 'General case' 0 C--N 1.363 1.162 0 N-CA-C 116.454 2.02 . . . . 0.0 116.454 -174.18 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 90.21 17.54 52.89 Favored Glycine 0 C--N 1.357 1.74 0 C-N-CA 124.626 1.108 . . . . 0.0 113.851 178.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.543 HD22 HD11 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -106.26 -25.22 12.05 Favored 'General case' 0 CA--C 1.486 -1.492 0 C-N-CA 125.233 1.413 . . . . 0.0 111.678 -179.195 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.42 ' O ' ' HA2' ' A' ' 74' ' ' GLY . 2.7 m -140.27 139.91 35.61 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-N 122.522 2.419 . . . . 0.0 111.986 -179.199 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 83.5 mttt -98.58 115.32 28.37 Favored 'General case' 0 C--N 1.357 0.934 0 O-C-N 120.362 -1.461 . . . . 0.0 109.624 173.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.502 HG22 HG22 ' A' ' 90' ' ' ILE . 0.2 OUTLIER -99.99 151.61 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 O-C-N 118.634 -2.541 . . . . 0.0 113.957 -175.593 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -148.2 154.24 39.85 Favored 'General case' 0 C--N 1.356 0.878 0 CA-C-N 113.25 -1.795 . . . . 0.0 110.703 173.391 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 77.6 tt0 -119.5 140.26 50.77 Favored 'General case' 0 C--N 1.368 1.38 0 CA-C-O 123.02 1.39 . . . . 0.0 112.629 -177.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.43 ' HB ' ' CD ' ' A' ' 85' ' ' PRO . 72.8 p -119.56 177.42 1.38 Allowed Pre-proline 0 CA--C 1.504 -0.79 0 C-N-CA 130.777 3.631 . . . . 0.0 110.572 -178.449 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.43 ' CD ' ' HB ' ' A' ' 84' ' ' THR . 14.4 Cg_exo -71.53 -4.44 15.02 Favored 'Trans proline' 0 N--CA 1.442 -1.512 0 N-CA-C 117.877 2.222 . . . . 0.0 117.877 165.644 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 54.0 mttp -116.32 -5.73 11.8 Favored 'General case' 0 C--N 1.363 1.157 0 CA-C-N 120.974 1.715 . . . . 0.0 114.334 -176.196 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 155.62 -172.38 33.7 Favored Glycine 0 C--N 1.354 1.563 0 O-C-N 120.574 -1.329 . . . . 0.0 113.001 -178.008 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.501 ' CZ2' HG23 ' A' ' 67' ' ' THR . 6.1 m95 -102.42 110.04 21.87 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 127.885 2.474 . . . . 0.0 109.973 179.24 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -104.58 133.19 49.86 Favored 'General case' 0 C--N 1.362 1.137 0 C-N-CA 126.094 1.758 . . . . 0.0 107.232 -176.232 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.502 HG22 HG22 ' A' ' 81' ' ' VAL . 3.4 pt -118.85 136.23 56.7 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.603 0 N-CA-C 104.854 -2.276 . . . . 0.0 104.854 -175.58 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -117.4 122.54 44.11 Favored 'General case' 0 CA--C 1.496 -1.12 0 N-CA-C 102.556 -3.128 . . . . 0.0 102.556 169.14 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . 0.3 86.0 t80 -71.42 147.95 47.39 Favored 'General case' 0 N--CA 1.44 -0.928 0 C-N-CA 127.085 2.154 . . . . 0.0 113.249 -178.111 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 34.8 mm -86.66 116.8 29.88 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.853 0 C-N-CA 131.012 3.725 . . . . 0.0 104.589 175.303 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . 0.342 46.3 p-10 -79.53 95.53 5.87 Favored 'General case' 0 C--N 1.361 1.087 0 O-C-N 120.538 -1.351 . . . . 0.0 111.657 -179.554 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.432 ' HD3' HD23 ' A' ' 78' ' ' LEU 0.259 23.9 mmm180 -35.86 -93.14 0.0 OUTLIER 'General case' 0 C--N 1.359 0.982 1 C-N-CA 134.54 5.136 . . . . 0.0 114.292 179.088 . . . . . . . . 4 3 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -102.29 115.56 64.34 Favored Pre-proline 0 N--CA 1.447 -0.586 0 CA-C-O 114.546 -2.645 . . . . 0.0 104.207 156.283 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -58.23 -21.6 52.83 Favored 'Trans proline' 0 C--N 1.358 1.034 1 C-N-CA 126.959 5.106 . . . . 0.0 115.782 179.003 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -67.52 -20.22 65.41 Favored 'General case' 0 C--N 1.365 1.274 0 C-N-CA 127.951 2.5 . . . . 0.0 111.142 167.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.446 HG22 HD12 ' A' ' 100' ' ' ILE 0.258 0.4 OUTLIER -76.54 -53.03 8.63 Favored 'General case' 0 C--N 1.368 1.397 0 C-N-CA 125.733 1.613 . . . . 0.0 109.135 167.603 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.446 HD12 HG22 ' A' ' 99' ' ' THR . 1.7 mp -57.84 -51.17 73.79 Favored 'Isoleucine or valine' 0 C--N 1.382 2.013 0 C-N-CA 129.216 3.006 . . . . 0.0 112.578 177.527 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 26.2 mmt85 -72.99 -21.5 60.83 Favored 'General case' 0 C--N 1.358 0.978 0 O-C-N 119.375 -2.078 . . . . 0.0 113.566 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -82.0 -37.83 25.98 Favored 'General case' 0 C--N 1.369 1.452 0 C-N-CA 124.773 1.229 . . . . 0.0 109.099 171.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . 0.441 37.9 mt-30 -60.37 -46.54 89.59 Favored 'General case' 0 C--N 1.37 1.473 0 C-N-CA 129.071 2.948 . . . . 0.0 113.636 172.101 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 100' ' ' ILE 0.254 0.0 OUTLIER -82.22 -50.8 8.58 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 115.901 1.815 . . . . 0.0 115.901 174.89 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -82.96 -53.01 6.16 Favored 'General case' 0 C--N 1.362 1.152 0 N-CA-C 117.881 2.548 . . . . 0.0 117.881 -171.38 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 2.5 mt -83.39 -53.17 5.92 Favored 'General case' 0 C--N 1.359 1.014 0 C-N-CA 126.461 1.904 . . . . 0.0 116.095 -175.018 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -57.64 -30.18 65.17 Favored 'General case' 0 C--N 1.374 1.641 0 C-N-CA 128.285 2.634 . . . . 0.0 114.262 -177.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -82.95 -8.23 59.59 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 113.376 -1.738 . . . . 0.0 115.202 -174.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 44.3 mmtm -80.44 51.71 1.5 Allowed 'General case' 0 C--N 1.359 1.002 0 C-N-CA 129.32 3.048 . . . . 0.0 114.362 -178.375 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -104.13 121.87 44.14 Favored 'General case' 0 C--N 1.35 0.623 0 C-N-CA 127.202 2.201 . . . . 0.0 110.889 -178.122 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 54.2 pttt . . . . . 0 C--N 1.352 0.706 0 N-CA-C 106.546 -1.65 . . . . 0.0 106.546 179.893 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.493 -1.335 0 N-CA-C 109.745 -1.342 . . . . 0.0 109.745 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -123.59 144.25 49.71 Favored 'General case' 0 C--N 1.352 0.707 0 C-N-CA 126.019 1.728 . . . . 0.0 108.979 177.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 42.63 -66.67 0.0 OUTLIER 'General case' 0 C--N 1.359 1.021 0 N-CA-C 121.777 3.991 . . . . 0.0 121.777 170.154 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -80.19 -29.08 38.59 Favored 'General case' 0 C--N 1.358 0.975 0 C-N-CA 127.131 2.172 . . . . 0.0 111.195 177.523 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 mm? 75.63 44.98 0.14 Allowed 'General case' 0 C--N 1.371 1.527 0 C-N-CA 130.263 3.425 . . . . 0.0 109.145 -176.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -85.93 -42.79 13.76 Favored 'General case' 0 C--N 1.358 0.945 0 C-N-CA 127.757 2.423 . . . . 0.0 115.636 -171.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.332 18.5 tp 74.19 -38.69 0.4 Allowed 'General case' 0 C--N 1.364 1.208 0 N-CA-C 117.487 2.403 . . . . 0.0 117.487 178.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 87.95 10.77 0.12 Allowed 'General case' 0 C--N 1.357 0.909 0 C-N-CA 126.955 2.102 . . . . 0.0 114.064 170.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.1 t 179.35 -157.52 0.03 OUTLIER 'General case' 0 C--N 1.352 0.686 0 N-CA-C 100.73 -3.804 . . . . 0.0 100.73 -177.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -121.79 -159.94 0.84 Allowed 'General case' 0 C--N 1.354 0.783 0 CA-C-N 120.934 1.697 . . . . 0.0 111.566 176.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 69.73 63.62 0.52 Allowed Pre-proline 0 C--N 1.356 0.89 0 C-N-CA 129.502 3.121 . . . . 0.0 114.012 -177.304 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -74.18 70.92 4.52 Favored 'Trans proline' 0 C--N 1.363 1.3 0 C-N-CA 125.052 3.835 . . . . 0.0 112.201 178.277 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -72.13 -53.33 13.06 Favored 'General case' 0 C--N 1.356 0.853 0 C-N-CA 129.598 3.159 . . . . 0.0 112.819 179.041 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -80.88 -6.8 59.1 Favored 'General case' 0 C--N 1.354 0.774 0 C-N-CA 127.547 2.339 . . . . 0.0 111.81 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -119.97 18.24 12.48 Favored 'General case' 0 C--N 1.36 1.049 0 C-N-CA 126.206 1.802 . . . . 0.0 109.71 178.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.7 tmt? -71.48 -26.26 62.63 Favored 'General case' 0 C--N 1.378 1.81 0 C-N-CA 128.8 2.84 . . . . 0.0 110.125 175.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -63.0 -32.55 73.94 Favored 'General case' 0 C--N 1.365 1.245 0 C-N-CA 127.193 2.197 . . . . 0.0 114.385 177.319 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -69.87 -52.65 23.02 Favored 'General case' 0 C--N 1.366 1.319 0 C-N-CA 127.089 2.156 . . . . 0.0 113.453 176.182 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 -73.73 -34.0 64.59 Favored 'General case' 0 C--N 1.356 0.865 0 C-N-CA 129.044 2.938 . . . . 0.0 113.323 178.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . 0.321 5.9 m -70.72 -29.42 65.69 Favored 'General case' 0 C--N 1.365 1.257 0 C-N-CA 126.004 1.721 . . . . 0.0 113.98 173.144 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -65.2 -40.18 93.83 Favored 'General case' 0 C--N 1.369 1.456 0 O-C-N 120.714 -1.241 . . . . 0.0 113.169 172.177 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -74.97 -49.96 18.26 Favored 'General case' 0 C--N 1.364 1.23 0 C-N-CA 125.849 1.66 . . . . 0.0 112.761 171.253 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.448 ' CZ ' ' CZ ' ' A' ' 46' ' ' TYR . 12.9 t80 -66.55 -52.8 41.74 Favored 'General case' 0 C--N 1.371 1.543 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 -178.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.446 HH11 ' HG ' ' A' ' 28' ' ' LEU 0.386 0.0 OUTLIER -66.03 -38.69 89.04 Favored 'General case' 0 C--N 1.359 1.0 0 O-C-N 120.153 -1.592 . . . . 0.0 115.208 178.791 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -70.91 -51.16 27.78 Favored 'General case' 0 C--N 1.358 0.953 0 O-C-N 119.455 -2.028 . . . . 0.0 115.525 173.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -74.41 -39.55 62.57 Favored 'General case' 0 C--N 1.37 1.457 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 -178.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -66.98 -44.87 79.33 Favored 'General case' 0 C--N 1.373 1.619 0 C-N-CA 126.023 1.729 . . . . 0.0 111.269 176.247 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.446 ' HG ' HH11 ' A' ' 24' ' ' ARG . 16.7 mt -66.81 -35.68 80.61 Favored 'General case' 0 C--N 1.379 1.85 0 CA-C-N 119.983 1.265 . . . . 0.0 112.811 172.133 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -60.4 -54.1 49.63 Favored 'General case' 0 C--N 1.366 1.309 0 N-CA-C 115.439 1.644 . . . . 0.0 115.439 172.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.411 HD11 ' HB2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -70.34 -34.81 73.09 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 125.886 1.674 . . . . 0.0 114.764 178.195 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.6 -53.82 52.87 Favored 'General case' 0 C--N 1.373 1.616 0 C-N-CA 127.266 2.226 . . . . 0.0 110.864 170.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.3 mtm180 -63.45 -38.44 91.14 Favored 'General case' 0 C--N 1.365 1.24 0 N-CA-C 114.984 1.475 . . . . 0.0 114.984 -176.298 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.481 ' HA ' ' HB3' ' A' ' 103' ' ' GLN 0.27 2.6 ptt180 -71.68 -51.44 23.01 Favored 'General case' 0 C--N 1.374 1.665 0 N-CA-C 116.947 2.203 . . . . 0.0 116.947 165.005 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 -79.71 -28.73 40.57 Favored 'General case' 0 C--N 1.358 0.967 0 N-CA-C 114.516 1.302 . . . . 0.0 114.516 -167.401 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -117.55 -31.25 5.27 Favored 'General case' 0 C--N 1.359 1.005 0 C-N-CA 125.034 1.334 . . . . 0.0 112.243 -175.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 75.36 -116.85 5.08 Favored Glycine 0 C--N 1.378 2.912 0 C-N-CA 125.595 1.569 . . . . 0.0 113.696 -174.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.452 HG21 ' HB3' ' A' ' 94' ' ' ASP . 6.0 p -124.88 108.11 11.58 Favored 'General case' 0 N--CA 1.441 -0.903 0 N-CA-C 100.693 -3.817 . . . . 0.0 100.693 169.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -157.82 142.44 16.36 Favored 'General case' 0 CA--C 1.493 -1.247 0 N-CA-C 104.308 -2.478 . . . . 0.0 104.308 -175.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.85 107.88 4.22 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-O 123.114 1.435 . . . . 0.0 112.068 175.197 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.7 p -141.46 145.79 24.19 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.071 0 O-C-N 120.082 -1.636 . . . . 0.0 106.877 -176.5 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.517 ' CE1' ' H ' ' A' ' 88' ' ' TRP . 15.6 t60 -68.45 135.81 52.26 Favored 'General case' 0 N--CA 1.444 -0.731 0 C-N-CA 127.917 2.487 . . . . 0.0 112.662 -179.434 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -65.8 -29.64 70.15 Favored 'General case' 0 C--N 1.361 1.078 0 N-CA-C 116.819 2.155 . . . . 0.0 116.819 -175.05 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -66.8 -27.02 67.23 Favored 'General case' 0 C--N 1.361 1.075 0 C-N-CA 125.408 1.483 . . . . 0.0 113.138 171.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.439 ' HA ' ' ND2' ' A' ' 47' ' ' ASN . 12.3 mt -76.3 -43.53 36.67 Favored 'Isoleucine or valine' 0 C--N 1.372 1.577 0 C-N-CA 128.61 2.764 . . . . 0.0 112.384 174.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.4 m -70.12 -37.29 71.51 Favored 'Isoleucine or valine' 0 C--N 1.367 1.329 0 O-C-N 121.014 -1.054 . . . . 0.0 109.23 171.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.448 ' CZ ' ' CZ ' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -65.32 -51.98 57.01 Favored 'General case' 0 C--N 1.391 2.396 0 C-N-CA 126.256 1.822 . . . . 0.0 111.663 175.601 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.439 ' ND2' ' HA ' ' A' ' 44' ' ' ILE . 15.9 p30 -59.21 -28.03 66.28 Favored 'General case' 0 C--N 1.369 1.453 0 CA-C-N 121.821 2.101 . . . . 0.0 115.636 175.236 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -75.71 -43.84 45.06 Favored 'General case' 0 C--N 1.367 1.349 0 CA-C-N 114.149 -1.387 . . . . 0.0 111.473 177.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.772 ' CE1' HG23 ' A' ' 50' ' ' ILE . 22.2 t80 -64.31 -53.25 51.82 Favored 'General case' 0 C--N 1.357 0.929 0 C-N-CA 131.519 3.928 . . . . 0.0 114.722 176.056 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.772 HG23 ' CE1' ' A' ' 49' ' ' TYR 0.432 1.1 pt -82.09 -3.88 7.4 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.16 0 N-CA-C 121.304 3.816 . . . . 0.0 121.304 -177.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 24.4 t -87.78 57.11 4.19 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.754 1.622 . . . . 0.0 107.085 169.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -154.56 -166.68 2.39 Favored 'General case' 0 N--CA 1.447 -0.618 1 C-N-CA 131.894 4.078 . . . . 0.0 101.729 -173.553 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.2 ppt_? -65.09 -30.63 71.6 Favored 'General case' 0 C--N 1.362 1.132 0 N-CA-C 117.224 2.305 . . . . 0.0 117.224 175.059 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -81.57 10.53 5.8 Favored 'General case' 0 CA--C 1.5 -0.953 0 N-CA-C 120.181 3.4 . . . . 0.0 120.181 -164.513 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.541 ' HD2' ' HB ' ' A' ' 50' ' ' ILE 0.48 13.6 t-80 -29.74 71.16 0.0 OUTLIER 'General case' 0 C--N 1.367 1.328 1 N-CA-C 122.697 4.332 . . . . 0.0 122.697 -174.861 . . . . . . . . 4 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.551 ' H ' HG21 ' A' ' 50' ' ' ILE . 38.2 mt -101.76 131.02 50.51 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.219 1 C-N-CA 132.293 4.237 . . . . 0.0 105.596 173.911 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -114.16 160.16 19.28 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 103.326 -2.842 . . . . 0.0 103.326 170.018 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.93 -17.98 1.18 Allowed 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 119.553 3.168 . . . . 0.0 119.553 -171.765 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . 0.309 9.3 m120 -78.35 -20.67 50.84 Favored 'General case' 0 N--CA 1.424 -1.73 1 C-N-CA 135.921 5.688 . . . . 0.0 109.678 -177.738 . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.451 ' HB3' HG23 ' A' ' 56' ' ' ILE . . . -89.45 49.26 1.72 Allowed 'General case' 0 C--N 1.385 2.113 0 C-N-CA 128.949 2.9 . . . . 0.0 110.994 168.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 8.3 p -149.81 -173.54 4.45 Favored 'General case' 0 C--N 1.361 1.083 0 C-N-CA 127.119 2.167 . . . . 0.0 109.975 -175.3 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -88.54 -19.89 25.79 Favored 'General case' 0 C--N 1.37 1.469 0 C-N-CA 129.662 3.185 . . . . 0.0 112.266 174.355 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 1.7 m-90 -85.17 107.61 17.32 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 128.529 2.732 . . . . 0.0 111.678 -176.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.405 ' HG3' HG23 ' A' ' 65' ' ' THR . 14.3 pt-20 -72.5 -10.0 59.25 Favored 'General case' 0 C--N 1.361 1.089 0 N-CA-C 117.076 2.251 . . . . 0.0 117.076 178.589 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.405 HG23 ' HG3' ' A' ' 64' ' ' GLU . 40.4 p -147.65 153.97 40.03 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 127.659 2.383 . . . . 0.0 104.647 -175.079 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.444 ' O ' HD23 ' A' ' 66' ' ' LEU . 1.2 tt -75.29 -3.24 32.21 Favored 'General case' 0 C--N 1.373 1.608 0 O-C-N 119.386 -2.071 . . . . 0.0 113.855 177.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.668 HG23 ' CZ2' ' A' ' 88' ' ' TRP . 33.0 m -80.54 -37.08 32.15 Favored 'General case' 0 C--N 1.358 0.973 0 C-N-CA 131.015 3.726 . . . . 0.0 107.643 175.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -72.79 -29.74 63.53 Favored 'General case' 0 C--N 1.361 1.087 0 N-CA-C 116.034 1.864 . . . . 0.0 116.034 174.118 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -72.48 -38.02 68.3 Favored 'General case' 0 C--N 1.363 1.177 0 C-N-CA 126.423 1.889 . . . . 0.0 110.346 171.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.607 ' HB ' HG21 ' A' ' 81' ' ' VAL 0.258 2.0 p -72.67 -35.21 67.64 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 124.796 1.238 . . . . 0.0 112.072 175.509 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.8 mmtp -62.38 -36.32 81.92 Favored 'General case' 0 C--N 1.378 1.837 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 169.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 87.2 t90 -78.29 -49.13 14.24 Favored 'General case' 0 C--N 1.37 1.478 0 C-N-CA 126.481 1.912 . . . . 0.0 112.742 177.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . 0.677 0.0 OUTLIER -65.28 -32.91 74.81 Favored 'General case' 0 C--N 1.361 1.091 0 O-C-N 119.157 -2.214 . . . . 0.0 115.637 177.852 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -60.41 -28.76 67.79 Favored Glycine 0 C--N 1.369 2.374 0 CA-C-N 112.306 -2.224 . . . . 0.0 116.101 160.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -83.5 -39.12 20.88 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 127.215 2.206 . . . . 0.0 114.668 177.305 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.438 ' CB ' ' CD1' ' A' ' 78' ' ' LEU . 49.7 mm-40 -66.96 -20.16 65.84 Favored 'General case' 0 C--N 1.359 1.0 0 C-N-CA 129.815 3.246 . . . . 0.0 113.504 177.07 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 91.35 15.6 55.09 Favored Glycine 0 C--N 1.359 1.833 0 CA-C-O 122.783 1.213 . . . . 0.0 111.412 165.192 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.438 ' CD1' ' CB ' ' A' ' 76' ' ' GLU . 3.1 mp -95.36 -31.73 13.28 Favored 'General case' 0 CA--C 1.48 -1.712 0 C-N-CA 125.112 1.365 . . . . 0.0 111.4 -177.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 92' ' ' TYR . 2.4 m -140.7 146.18 37.47 Favored 'General case' 0 CA--C 1.508 -0.648 0 O-C-N 119.448 -2.032 . . . . 0.0 114.44 -177.5 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 59.6 mttt -99.07 143.53 29.25 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 129.087 2.955 . . . . 0.0 107.266 175.303 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.607 HG21 ' HB ' ' A' ' 70' ' ' THR . 0.1 OUTLIER -132.25 144.41 37.1 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.696 0 O-C-N 119.429 -2.044 . . . . 0.0 112.176 -170.641 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -142.81 150.65 40.23 Favored 'General case' 0 C--N 1.359 1.003 0 CA-C-N 113.983 -1.462 . . . . 0.0 110.272 173.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -121.48 138.33 54.33 Favored 'General case' 0 C--N 1.365 1.257 0 O-C-N 120.537 -1.352 . . . . 0.0 109.672 178.353 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 46.4 p -124.99 175.73 2.84 Favored Pre-proline 0 C--N 1.361 1.093 0 C-N-CA 127.27 2.228 . . . . 0.0 111.172 -175.12 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -64.99 -6.48 12.91 Favored 'Trans proline' 0 CA--C 1.559 1.742 0 C-N-CA 123.173 2.582 . . . . 0.0 117.272 163.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -119.88 25.92 9.64 Favored 'General case' 0 C--N 1.364 1.198 0 C-N-CA 127.5 2.32 . . . . 0.0 111.844 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.465 ' HA3' ' CE1' ' A' ' 41' ' ' HIS . . . 115.59 -168.08 12.55 Favored Glycine 0 C--N 1.366 2.242 0 N-CA-C 118.687 2.235 . . . . 0.0 118.687 174.768 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.668 ' CZ2' HG23 ' A' ' 67' ' ' THR . 18.2 m95 -97.67 110.09 22.72 Favored 'General case' 0 C--N 1.368 1.404 0 C-N-CA 129.809 3.243 . . . . 0.0 108.793 177.389 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -108.89 132.25 54.23 Favored 'General case' 0 C--N 1.363 1.188 0 C-N-CA 127.866 2.466 . . . . 0.0 107.14 -178.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.578 HG22 HG22 ' A' ' 81' ' ' VAL . 2.3 pt -122.92 137.66 55.64 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.973 0 C-N-CA 126.241 1.816 . . . . 0.0 107.35 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -123.31 125.55 45.24 Favored 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 103.534 -2.765 . . . . 0.0 103.534 171.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.416 ' HA ' ' HA ' ' A' ' 79' ' ' CYS 0.273 49.3 t80 -63.11 147.49 50.67 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 127.953 2.501 . . . . 0.0 114.118 178.076 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.2 mt -94.25 106.41 18.06 Favored 'Isoleucine or valine' 0 C--N 1.354 0.768 0 N-CA-C 100.363 -3.94 . . . . 0.0 100.363 177.209 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.452 ' HB3' HG21 ' A' ' 37' ' ' THR 0.286 2.1 p30 -49.7 -27.11 4.36 Favored 'General case' 0 C--N 1.36 1.057 1 N-CA-C 122.389 4.218 . . . . 0.0 122.389 -167.847 . . . . . . . . 4 3 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . 0.321 6.3 mtp180 74.71 -92.45 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 128.208 2.603 . . . . 0.0 108.443 -179.476 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -102.45 119.25 56.72 Favored Pre-proline 0 N--CA 1.451 -0.387 0 N-CA-C 104.746 -2.316 . . . . 0.0 104.746 159.437 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -74.13 -8.6 21.21 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 125.239 3.959 . . . . 0.0 113.439 -177.454 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -70.81 -28.47 64.66 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 127.841 2.456 . . . . 0.0 109.672 168.027 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -68.51 -38.7 81.16 Favored 'General case' 0 C--N 1.372 1.55 0 O-C-N 120.223 -1.548 . . . . 0.0 111.621 174.487 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 45.7 mm -73.62 -50.76 28.11 Favored 'Isoleucine or valine' 0 C--N 1.365 1.275 0 C-N-CA 130.175 3.39 . . . . 0.0 110.168 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 85.4 mtm180 -66.34 -34.77 78.72 Favored 'General case' 0 C--N 1.364 1.223 0 O-C-N 119.992 -1.693 . . . . 0.0 113.697 175.063 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.83 -25.56 56.38 Favored 'General case' 0 C--N 1.372 1.545 0 C-N-CA 125.079 1.352 . . . . 0.0 111.171 173.582 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.481 ' HB3' ' HA ' ' A' ' 33' ' ' ARG 0.266 37.8 mt-30 -72.23 -41.05 67.27 Favored 'General case' 0 C--N 1.364 1.202 0 C-N-CA 124.684 1.194 . . . . 0.0 114.142 173.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.83 -53.89 6.63 Favored 'General case' 0 C--N 1.355 0.844 0 O-C-N 120.974 -1.079 . . . . 0.0 112.927 177.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -83.47 -57.43 3.25 Favored 'General case' 0 C--N 1.362 1.13 0 N-CA-C 118.946 2.943 . . . . 0.0 118.946 -174.36 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.76 -42.71 66.87 Favored 'General case' 0 C--N 1.364 1.213 0 C-N-CA 127.726 2.41 . . . . 0.0 115.624 -173.234 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -63.25 7.01 0.1 Allowed 'General case' 0 C--N 1.371 1.53 0 C-N-CA 129.653 3.181 . . . . 0.0 115.088 179.127 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -109.64 -16.14 14.0 Favored 'General case' 0 C--N 1.347 0.479 0 C-N-CA 129.181 2.992 . . . . 0.0 112.482 176.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -101.05 4.91 42.73 Favored 'General case' 0 C--N 1.358 0.974 0 C-N-CA 126.345 1.858 . . . . 0.0 115.124 -172.028 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 57.5 mttp -77.18 54.91 1.12 Allowed 'General case' 0 C--N 1.356 0.888 0 N-CA-C 116.74 2.126 . . . . 0.0 116.74 -175.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 76.5 tttt . . . . . 0 C--N 1.362 1.143 0 C-N-CA 129.457 3.103 . . . . 0.0 116.617 176.394 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.496 -1.138 0 N-CA-C 109.214 -1.554 . . . . 0.0 109.214 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.55 157.58 29.16 Favored 'General case' 0 CA--C 1.508 -0.667 0 C-N-CA 125.468 1.507 . . . . 0.0 109.963 -179.38 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 79.98 26.17 0.35 Allowed 'General case' 0 C--N 1.361 1.079 0 C-N-CA 127.799 2.44 . . . . 0.0 113.957 176.334 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -91.52 -32.66 15.47 Favored 'General case' 0 C--N 1.356 0.879 0 C-N-CA 128.867 2.867 . . . . 0.0 112.885 179.007 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.358 0.4 OUTLIER 48.47 47.88 19.84 Favored 'General case' 0 C--N 1.371 1.536 0 C-N-CA 129.11 2.964 . . . . 0.0 115.58 -174.784 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.1 154.3 37.89 Favored 'General case' 0 C--N 1.371 1.529 0 C-N-CA 125.308 1.443 . . . . 0.0 114.065 -177.052 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 89.4 mt -126.22 20.16 7.51 Favored 'General case' 0 CA--C 1.503 -0.832 0 C-N-CA 124.462 1.105 . . . . 0.0 110.897 -178.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 67.8 40.65 2.36 Favored 'General case' 0 C--N 1.361 1.082 0 C-N-CA 127.246 2.218 . . . . 0.0 114.984 174.209 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 80.7 p -78.06 90.26 4.21 Favored 'General case' 0 C--N 1.358 0.95 0 C-N-CA 127.547 2.339 . . . . 0.0 116.531 -174.132 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -151.98 -178.4 6.73 Favored 'General case' 0 N--CA 1.436 -1.13 0 N-CA-C 101.684 -3.45 . . . . 0.0 101.684 175.033 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 14.1 t30 84.14 87.64 0.05 OUTLIER Pre-proline 0 C--N 1.36 1.034 0 C-N-CA 127.032 2.133 . . . . 0.0 111.168 177.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -61.51 51.55 0.1 OUTLIER 'Trans proline' 0 CA--C 1.553 1.449 1 C-N-CA 125.763 4.309 . . . . 0.0 119.436 -172.174 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -72.16 -55.96 6.38 Favored 'General case' 0 C--N 1.367 1.368 0 C-N-CA 130.549 3.54 . . . . 0.0 112.983 179.31 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.3 pm0 -75.43 9.95 1.9 Allowed 'General case' 0 C--N 1.361 1.082 0 C-N-CA 127.56 2.344 . . . . 0.0 115.769 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -107.46 10.35 29.44 Favored 'General case' 0 C--N 1.355 0.81 0 C-N-CA 127.7 2.4 . . . . 0.0 108.081 174.205 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -60.97 -31.85 71.42 Favored 'General case' 0 C--N 1.378 1.841 0 C-N-CA 127.289 2.236 . . . . 0.0 113.787 176.449 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -65.11 -47.66 76.39 Favored 'General case' 0 C--N 1.365 1.24 0 O-C-N 119.429 -2.045 . . . . 0.0 113.952 172.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -70.39 -52.81 19.69 Favored 'General case' 0 C--N 1.364 1.215 0 C-N-CA 127.232 2.213 . . . . 0.0 114.646 175.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.8 m-30 -74.05 -44.5 54.06 Favored 'General case' 0 C--N 1.364 1.2 0 C-N-CA 127.184 2.194 . . . . 0.0 115.018 -178.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . 0.387 7.0 t -66.62 -29.17 69.15 Favored 'General case' 0 C--N 1.373 1.62 0 N-CA-C 114.918 1.451 . . . . 0.0 114.918 175.112 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -69.5 -48.35 60.88 Favored 'General case' 0 C--N 1.365 1.259 0 CA-C-N 121.709 2.05 . . . . 0.0 112.46 175.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -65.37 -45.9 82.25 Favored 'General case' 0 C--N 1.368 1.389 0 C-N-CA 125.999 1.719 . . . . 0.0 112.251 174.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.444 ' CE1' ' CE2' ' A' ' 46' ' ' TYR . 11.6 t80 -59.51 -50.95 71.95 Favored 'General case' 0 C--N 1.381 1.935 0 C-N-CA 125.258 1.423 . . . . 0.0 112.852 172.511 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.457 ' HE ' ' CD2' ' A' ' 28' ' ' LEU 0.387 0.0 OUTLIER -69.22 -34.22 74.52 Favored 'General case' 0 C--N 1.357 0.933 0 N-CA-C 116.274 1.953 . . . . 0.0 116.274 178.477 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -71.13 -51.49 24.66 Favored 'General case' 0 C--N 1.357 0.924 0 O-C-N 120.279 -1.513 . . . . 0.0 114.538 172.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -76.79 -38.33 54.18 Favored 'General case' 0 C--N 1.365 1.272 0 N-CA-C 115.044 1.498 . . . . 0.0 115.044 178.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -70.84 -38.73 73.22 Favored 'General case' 0 C--N 1.373 1.619 0 C-N-CA 126.098 1.759 . . . . 0.0 110.63 175.471 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.457 ' CD2' ' HE ' ' A' ' 24' ' ' ARG . 0.1 OUTLIER -66.41 -37.88 86.21 Favored 'General case' 0 C--N 1.383 2.023 0 CA-C-N 121.065 1.757 . . . . 0.0 111.548 172.534 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -60.64 -53.79 53.18 Favored 'General case' 0 C--N 1.359 0.999 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 171.166 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.488 HD21 ' HG2' ' A' ' 48' ' ' GLU . 5.5 tp -57.27 -43.2 82.87 Favored 'General case' 0 C--N 1.365 1.264 0 C-N-CA 128.274 2.63 . . . . 0.0 114.002 175.7 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 tt -64.31 -45.91 85.88 Favored 'General case' 0 C--N 1.368 1.375 0 C-N-CA 129.608 3.163 . . . . 0.0 112.668 174.209 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 56.6 mtm180 -74.33 -45.46 47.13 Favored 'General case' 0 C--N 1.357 0.919 0 N-CA-C 115.297 1.591 . . . . 0.0 115.297 178.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.4 ptt180 -70.94 -48.22 54.68 Favored 'General case' 0 CA--C 1.48 -1.724 0 N-CA-C 117.527 2.417 . . . . 0.0 117.527 175.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.4 mtt180 -83.2 -31.07 27.28 Favored 'General case' 0 N--CA 1.435 -1.204 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 -175.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -111.97 -27.7 8.32 Favored 'General case' 0 C--N 1.362 1.141 0 CA-C-O 117.82 -1.086 . . . . 0.0 113.441 -174.201 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.34 -108.23 2.41 Favored Glycine 0 C--N 1.397 3.934 0 CA-C-N 123.156 2.707 . . . . 0.0 113.029 -175.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.8 p -135.1 108.28 7.72 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 100.475 -3.898 . . . . 0.0 100.475 168.512 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -141.16 139.95 33.98 Favored 'General case' 0 CA--C 1.505 -0.782 0 C-N-CA 125.178 1.391 . . . . 0.0 109.616 -177.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.08 110.78 5.96 Favored 'General case' 0 C--N 1.371 1.503 0 O-C-N 120.428 -1.42 . . . . 0.0 109.563 168.403 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.5 p -147.17 156.2 10.69 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.439 0 O-C-N 119.296 -2.127 . . . . 0.0 106.946 -166.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.408 ' CD2' ' O ' ' A' ' 88' ' ' TRP . 64.5 t-80 -85.75 119.8 26.48 Favored 'General case' 0 C--N 1.367 1.355 0 CA-C-O 123.155 1.455 . . . . 0.0 108.752 176.747 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -52.31 -32.82 39.66 Favored 'General case' 0 C--N 1.349 0.561 0 C-N-CA 130.186 3.394 . . . . 0.0 116.216 -178.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.291 3.5 t-20 -71.42 -28.11 63.76 Favored 'General case' 0 C--N 1.363 1.166 0 O-C-N 120.394 -1.441 . . . . 0.0 111.489 176.259 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.3 mt -66.29 -40.98 88.21 Favored 'Isoleucine or valine' 0 C--N 1.376 1.723 0 C-N-CA 128.22 2.608 . . . . 0.0 109.944 170.141 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.2 m -73.3 -39.53 55.85 Favored 'Isoleucine or valine' 0 C--N 1.359 0.982 0 C-N-CA 125.128 1.371 . . . . 0.0 112.239 178.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.444 ' CE2' ' CE1' ' A' ' 23' ' ' PHE . 0.4 OUTLIER -65.21 -50.98 63.77 Favored 'General case' 0 C--N 1.376 1.731 0 C-N-CA 129.837 3.255 . . . . 0.0 110.256 176.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -61.74 -31.95 72.16 Favored 'General case' 0 C--N 1.373 1.591 0 C-N-CA 127.126 2.171 . . . . 0.0 113.522 172.623 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.488 ' HG2' HD21 ' A' ' 30' ' ' LEU . 18.9 tt0 -69.24 -44.02 72.83 Favored 'General case' 0 C--N 1.365 1.256 0 C-N-CA 124.189 0.995 . . . . 0.0 113.206 171.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.499 ' CE2' HG23 ' A' ' 50' ' ' ILE 0.362 0.1 OUTLIER -68.05 -52.05 39.73 Favored 'General case' 0 C--N 1.362 1.13 0 C-N-CA 128.144 2.577 . . . . 0.0 113.41 175.075 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.499 HG23 ' CE2' ' A' ' 49' ' ' TYR . 0.5 OUTLIER -71.86 -18.63 19.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 N-CA-C 118.23 2.678 . . . . 0.0 118.23 -179.534 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 65.9 m -66.0 0.48 1.87 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 126.444 1.898 . . . . 0.0 115.384 175.257 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 57.7 m-70 -91.23 -137.65 0.15 Allowed 'General case' 0 C--N 1.358 0.953 0 C-N-CA 129.766 3.226 . . . . 0.0 107.218 172.1 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.34 -37.03 53.21 Favored 'General case' 0 C--N 1.357 0.925 0 N-CA-C 117.129 2.27 . . . . 0.0 117.129 177.112 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -78.43 11.74 2.31 Favored 'General case' 0 CA--C 1.502 -0.894 1 N-CA-C 123.727 4.714 . . . . 0.0 123.727 -160.019 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . 0.37 5.7 t-160 -28.94 48.09 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.311 1 N-CA-C 126.125 5.602 . . . . 0.0 126.125 -172.018 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.461 HG23 ' HB3' ' A' ' 60' ' ' ALA . 7.3 mt -88.11 93.82 4.4 Favored 'Isoleucine or valine' 0 C--N 1.367 1.329 0 C-N-CA 131.454 3.902 . . . . 0.0 104.7 169.047 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.497 ' HD2' ' H ' ' A' ' 58' ' ' MET . 1.9 t-160 -92.24 -176.01 4.22 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 125.667 1.587 . . . . 0.0 107.642 -179.267 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.497 ' H ' ' HD2' ' A' ' 57' ' ' HIS . 2.0 ttm -56.85 -12.51 1.98 Allowed 'General case' 0 CA--C 1.549 0.937 0 O-C-N 118.239 -2.788 . . . . 0.0 113.942 170.351 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -85.72 -9.44 57.15 Favored 'General case' 0 CA--C 1.574 1.899 1 C-N-CA 134.056 4.942 . . . . 0.0 112.445 174.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.461 ' HB3' HG23 ' A' ' 56' ' ' ILE . . . -124.57 55.57 1.32 Allowed 'General case' 0 C--N 1.371 1.53 0 C-N-CA 126.895 2.078 . . . . 0.0 110.734 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 9.7 t -179.86 175.99 0.79 Allowed 'General case' 0 C--N 1.363 1.188 0 O-C-N 120.513 -1.367 . . . . 0.0 108.587 -173.014 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -83.36 -10.9 58.18 Favored 'General case' 0 C--N 1.366 1.295 0 C-N-CA 127.573 2.349 . . . . 0.0 115.746 -173.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -103.01 97.4 7.51 Favored 'General case' 0 N--CA 1.441 -0.911 0 C-N-CA 128.155 2.582 . . . . 0.0 107.612 -177.223 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -75.67 -42.84 50.17 Favored 'General case' 0 C--N 1.361 1.073 0 C-N-CA 127.396 2.279 . . . . 0.0 112.411 -177.055 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -110.33 142.41 42.0 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 103.322 -2.844 . . . . 0.0 103.322 179.623 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.9 tp -52.76 -31.87 40.44 Favored 'General case' 0 C--N 1.378 1.825 0 C-N-CA 128.562 2.745 . . . . 0.0 114.675 -174.181 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.573 HG23 ' CZ2' ' A' ' 88' ' ' TRP . 29.3 m -56.35 -44.31 79.97 Favored 'General case' 0 CA--C 1.497 -1.088 1 C-N-CA 134.273 5.029 . . . . 0.0 110.66 -179.305 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.93 -27.09 62.58 Favored 'General case' 0 C--N 1.36 1.061 0 N-CA-C 117.393 2.368 . . . . 0.0 117.393 173.626 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.505 ' CZ ' HD22 ' A' ' 73' ' ' LEU . 26.8 t80 -72.45 -37.88 68.42 Favored 'General case' 0 C--N 1.365 1.273 0 C-N-CA 125.497 1.519 . . . . 0.0 110.164 171.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.5 ' HB ' HG21 ' A' ' 81' ' ' VAL . 1.0 OUTLIER -71.22 -36.84 72.01 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 126.72 2.008 . . . . 0.0 112.222 176.092 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.3 mmtt -62.09 -38.16 87.82 Favored 'General case' 0 C--N 1.383 2.054 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 168.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 79.9 t90 -80.71 -56.53 4.08 Favored 'General case' 0 C--N 1.364 1.221 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 178.187 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.505 HD22 ' CZ ' ' A' ' 69' ' ' PHE . 0.2 OUTLIER -65.13 -35.36 80.88 Favored 'General case' 0 C--N 1.364 1.224 0 N-CA-C 116.865 2.172 . . . . 0.0 116.865 -178.285 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -59.66 -27.58 64.08 Favored Glycine 0 C--N 1.361 1.932 0 C-N-CA 127.675 2.559 . . . . 0.0 114.704 170.32 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -83.6 -18.78 37.05 Favored 'General case' 0 CA--C 1.506 -0.737 0 N-CA-C 116.387 1.995 . . . . 0.0 116.387 -177.368 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -85.01 -18.54 34.11 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 124.776 1.23 . . . . 0.0 112.751 -175.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 90.51 24.92 27.13 Favored Glycine 0 C--N 1.37 2.445 0 C-N-CA 120.429 -0.891 . . . . 0.0 111.222 -176.415 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -104.59 -36.1 7.61 Favored 'General case' 0 CA--C 1.48 -1.743 0 C-N-CA 123.852 0.861 . . . . 0.0 109.724 174.632 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 92' ' ' TYR . 22.6 m -134.27 151.08 51.08 Favored 'General case' 0 C--O 1.222 -0.382 0 N-CA-C 116.793 2.146 . . . . 0.0 116.793 -179.036 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -104.12 143.74 32.5 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 127.475 2.31 . . . . 0.0 107.183 171.293 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.5 HG21 ' HB ' ' A' ' 70' ' ' THR . 0.1 OUTLIER -129.05 142.34 44.29 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.599 0 O-C-N 118.833 -2.417 . . . . 0.0 112.009 -175.3 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -139.89 150.95 45.21 Favored 'General case' 0 C--N 1.364 1.233 0 C-N-CA 125.699 1.6 . . . . 0.0 109.257 176.103 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -123.4 139.65 53.82 Favored 'General case' 0 C--N 1.369 1.429 0 O-C-N 120.507 -1.371 . . . . 0.0 112.301 -179.304 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.451 ' HB ' ' CD ' ' A' ' 85' ' ' PRO . 71.4 p -121.03 176.68 1.77 Allowed Pre-proline 0 C--N 1.358 0.97 0 C-N-CA 131.156 3.782 . . . . 0.0 109.375 -178.76 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.451 ' CD ' ' HB ' ' A' ' 84' ' ' THR . 16.9 Cg_exo -70.61 -1.49 9.26 Favored 'Trans proline' 0 N--CA 1.443 -1.49 0 N-CA-C 117.797 2.191 . . . . 0.0 117.797 165.628 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -111.02 -6.54 14.63 Favored 'General case' 0 C--N 1.361 1.1 0 CA-C-N 120.4 1.455 . . . . 0.0 114.163 -176.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 150.91 -164.64 30.03 Favored Glycine 0 C--N 1.359 1.813 0 O-C-N 120.631 -1.293 . . . . 0.0 112.943 -172.253 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.573 ' CZ2' HG23 ' A' ' 67' ' ' THR . 20.5 m95 -105.59 131.42 53.0 Favored 'General case' 0 C--N 1.359 0.985 0 CA-C-O 124.265 1.984 . . . . 0.0 107.417 171.16 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -116.2 125.7 52.63 Favored 'General case' 0 CA--C 1.5 -0.953 0 N-CA-C 103.34 -2.837 . . . . 0.0 103.34 -179.366 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -115.64 138.35 46.32 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.836 0 C-N-CA 126.527 1.931 . . . . 0.0 106.105 -179.414 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -121.17 120.37 35.05 Favored 'General case' 0 CA--C 1.49 -1.342 0 N-CA-C 102.587 -3.116 . . . . 0.0 102.587 171.357 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.462 ' HA ' ' HA ' ' A' ' 79' ' ' CYS 0.495 0.2 OUTLIER -73.84 147.31 43.43 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.945 1.698 . . . . 0.0 112.337 179.399 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . 0.272 2.3 mm -86.33 120.31 35.86 Favored 'Isoleucine or valine' 0 C--N 1.355 0.81 1 C-N-CA 134.083 4.953 . . . . 0.0 104.496 -176.828 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . 0.401 1.1 p30 -83.84 85.38 7.31 Favored 'General case' 0 C--N 1.366 1.313 0 CA-C-N 122.935 2.607 . . . . 0.0 111.545 179.015 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -27.07 -100.82 0.0 OUTLIER 'General case' 0 C--N 1.354 0.79 1 C-N-CA 134.961 5.305 . . . . 0.0 115.627 175.13 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -102.56 121.47 49.65 Favored Pre-proline 0 C--N 1.35 0.6 0 CA-C-O 113.857 -2.973 . . . . 0.0 105.405 163.208 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_exo -55.33 -25.34 47.08 Favored 'Trans proline' 0 C--N 1.358 1.07 2 C-N-CA 126.992 5.128 . . . . 0.0 117.017 -176.533 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -54.04 -44.63 71.17 Favored 'General case' 0 C--N 1.364 1.236 0 C-N-CA 129.193 2.997 . . . . 0.0 110.771 167.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -57.3 -47.19 82.14 Favored 'General case' 0 C--N 1.369 1.421 0 C-N-CA 126.756 2.023 . . . . 0.0 114.142 175.711 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.8 mp -66.78 -50.02 69.24 Favored 'Isoleucine or valine' 0 C--N 1.365 1.252 1 C-N-CA 131.822 4.049 . . . . 0.0 110.784 175.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 75.4 mtm-85 -69.05 -34.66 75.53 Favored 'General case' 0 C--N 1.361 1.071 0 O-C-N 119.241 -2.162 . . . . 0.0 113.237 177.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 -66.18 -33.47 75.85 Favored 'General case' 0 C--N 1.376 1.753 0 C-N-CA 126.089 1.756 . . . . 0.0 111.27 168.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . 0.319 1.3 mp0 -63.71 -59.55 4.44 Favored 'General case' 0 C--N 1.359 0.995 0 N-CA-C 115.999 1.851 . . . . 0.0 115.999 168.311 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.3 -38.88 75.07 Favored 'General case' 0 C--N 1.345 0.387 0 N-CA-C 115.548 1.684 . . . . 0.0 115.548 -176.097 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -82.08 -47.78 12.17 Favored 'General case' 0 C--N 1.362 1.128 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 -178.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 11.8 mt -83.08 -57.67 3.18 Favored 'General case' 0 C--N 1.359 1.002 0 N-CA-C 115.734 1.753 . . . . 0.0 115.734 -176.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -60.82 -16.79 44.92 Favored 'General case' 0 C--N 1.37 1.465 0 C-N-CA 128.754 2.821 . . . . 0.0 116.325 -176.301 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 36.1 mtmt -105.81 -22.43 12.93 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 113.647 -1.615 . . . . 0.0 114.552 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -107.36 -35.47 6.78 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 124.561 1.144 . . . . 0.0 113.935 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -121.5 49.48 1.52 Allowed 'General case' 0 C--N 1.358 0.977 0 C-N-CA 124.65 1.18 . . . . 0.0 111.342 -174.314 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? . . . . . 0 C--N 1.354 0.777 0 O-C-N 120.659 -1.276 . . . . 0.0 109.393 178.82 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.489 -1.546 0 N-CA-C 108.277 -1.929 . . . . 0.0 108.277 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -154.26 -65.14 0.14 Allowed 'General case' 0 CA--C 1.509 -0.609 0 CA-C-O 122.967 1.365 . . . . 0.0 108.691 -177.541 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -106.55 80.21 1.45 Allowed 'General case' 0 N--CA 1.442 -0.826 0 C-N-CA 127.418 2.287 . . . . 0.0 110.981 -174.074 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -168.93 -60.34 0.02 OUTLIER 'General case' 0 CA--C 1.501 -0.919 0 C-N-CA 124.135 0.974 . . . . 0.0 108.391 178.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 mm? 74.03 53.96 0.1 Allowed 'General case' 0 C--N 1.364 1.233 0 C-N-CA 128.415 2.686 . . . . 0.0 110.948 -178.381 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.9 mt -84.92 140.39 31.14 Favored 'General case' 0 C--N 1.359 0.995 0 N-CA-C 116.421 2.008 . . . . 0.0 116.421 -176.137 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 27.1 mt -120.53 12.2 11.5 Favored 'General case' 0 C--N 1.359 1.018 0 C-N-CA 126.421 1.888 . . . . 0.0 109.994 175.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 74.85 -81.57 0.03 OUTLIER 'General case' 0 C--N 1.357 0.903 0 C-N-CA 127.351 2.261 . . . . 0.0 112.501 177.3 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.8 t 62.95 40.94 8.93 Favored 'General case' 0 C--N 1.365 1.261 0 C-N-CA 129.583 3.153 . . . . 0.0 115.698 174.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -112.97 -110.88 0.35 Allowed 'General case' 0 C--N 1.358 0.96 0 C-N-CA 125.669 1.588 . . . . 0.0 111.752 -178.235 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 22.9 m-20 68.68 78.99 0.22 Allowed Pre-proline 0 C--N 1.366 1.304 0 C-N-CA 130.339 3.456 . . . . 0.0 114.329 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -69.8 55.99 1.35 Allowed 'Trans proline' 0 CA--C 1.548 1.178 0 C-N-CA 124.985 3.79 . . . . 0.0 119.0 -170.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -80.16 -65.05 1.05 Allowed 'General case' 0 C--N 1.363 1.165 0 C-N-CA 130.511 3.525 . . . . 0.0 110.633 179.184 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -66.72 -19.96 65.87 Favored 'General case' 0 C--N 1.365 1.281 0 C-N-CA 126.395 1.878 . . . . 0.0 113.831 174.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -89.16 -0.84 57.77 Favored 'General case' 0 C--N 1.361 1.087 0 C-N-CA 126.53 1.932 . . . . 0.0 111.955 173.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.435 ' HE2' ' CZ2' ' A' ' 63' ' ' TRP . 1.8 tmt? -74.67 -31.14 61.83 Favored 'General case' 0 C--N 1.381 1.972 0 O-C-N 120.25 -1.531 . . . . 0.0 110.172 172.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -62.36 -44.25 96.9 Favored 'General case' 0 C--N 1.363 1.182 0 O-C-N 120.234 -1.541 . . . . 0.0 112.602 170.07 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -70.31 -53.41 16.9 Favored 'General case' 0 C--N 1.362 1.125 0 C-N-CA 126.795 2.038 . . . . 0.0 115.454 173.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.277 28.7 m-85 -74.79 -39.73 61.56 Favored 'General case' 0 C--N 1.369 1.455 0 C-N-CA 126.839 2.056 . . . . 0.0 115.679 179.375 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . 0.304 1.4 t -66.87 -30.11 70.18 Favored 'General case' 0 C--N 1.375 1.681 0 C-N-CA 125.128 1.371 . . . . 0.0 112.407 175.435 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -69.9 -35.22 74.44 Favored 'General case' 0 C--N 1.37 1.478 0 C-N-CA 124.714 1.206 . . . . 0.0 113.947 170.137 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -75.71 -49.92 16.86 Favored 'General case' 0 C--N 1.37 1.476 0 CA-C-N 120.284 1.402 . . . . 0.0 112.753 171.314 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.463 ' CE2' ' CE1' ' A' ' 46' ' ' TYR . 23.3 t80 -60.58 -52.37 65.46 Favored 'General case' 0 C--N 1.375 1.707 0 C-N-CA 128.041 2.536 . . . . 0.0 112.876 179.27 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.554 HH11 ' HG ' ' A' ' 28' ' ' LEU 0.431 0.0 OUTLIER -70.49 -28.88 65.33 Favored 'General case' 0 C--N 1.358 0.952 0 N-CA-C 115.587 1.699 . . . . 0.0 115.587 -178.748 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -71.31 -52.31 19.5 Favored 'General case' 0 C--N 1.363 1.156 0 N-CA-C 115.148 1.536 . . . . 0.0 115.148 171.655 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -76.55 -39.06 53.92 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 124.769 1.227 . . . . 0.0 112.879 -179.27 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -70.8 -42.38 70.39 Favored 'General case' 0 C--N 1.365 1.271 0 CA-C-O 116.348 -1.787 . . . . 0.0 112.146 174.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.649 HD11 HD13 ' A' ' 78' ' ' LEU . 14.6 mt -66.3 -38.81 88.6 Favored 'General case' 0 C--N 1.386 2.16 0 CA-C-N 123.31 2.777 . . . . 0.0 111.929 173.774 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -61.13 -51.74 67.8 Favored 'General case' 0 C--N 1.368 1.401 0 N-CA-C 114.629 1.344 . . . . 0.0 114.629 173.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.512 ' O ' ' HB2' ' A' ' 34' ' ' ARG . 4.4 tt -60.1 -42.61 95.04 Favored 'General case' 0 C--N 1.357 0.895 0 C-N-CA 128.281 2.633 . . . . 0.0 113.641 174.693 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.456 HD11 ' HB2' ' A' ' 92' ' ' TYR . 2.3 tt -59.13 -50.23 74.83 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 127.293 2.237 . . . . 0.0 113.336 170.444 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -64.95 -38.46 91.06 Favored 'General case' 0 C--N 1.365 1.275 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 175.606 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.572 ' HA ' ' HB3' ' A' ' 103' ' ' GLN 0.261 8.5 ptt-85 -73.72 -52.99 11.4 Favored 'General case' 0 CA--C 1.466 -2.262 0 CA-C-N 122.855 2.57 . . . . 0.0 115.46 170.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.512 ' HB2' ' O ' ' A' ' 30' ' ' LEU . 4.4 mmt85 -83.4 -30.91 26.99 Favored 'General case' 0 N--CA 1.425 -1.676 0 CA-C-N 112.797 -2.002 . . . . 0.0 115.164 -161.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -114.36 -23.15 9.53 Favored 'General case' 0 C--N 1.362 1.126 0 C-N-CA 124.05 0.94 . . . . 0.0 111.936 -174.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.91 -103.51 2.12 Favored Glycine 0 C--N 1.384 3.207 0 O-C-N 119.428 -2.045 . . . . 0.0 111.749 -177.365 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.7 p -147.81 108.72 4.22 Favored 'General case' 0 N--CA 1.444 -0.764 1 N-CA-C 98.407 -4.664 . . . . 0.0 98.407 165.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.1 ttmm -145.67 143.42 29.79 Favored 'General case' 0 CA--C 1.504 -0.799 0 C-N-CA 124.914 1.285 . . . . 0.0 108.784 -176.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.9 107.64 4.13 Favored 'General case' 0 CA--C 1.567 1.606 0 C-N-CA 125.07 1.348 . . . . 0.0 110.369 175.372 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.5 p -151.49 154.98 7.48 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.303 0 O-C-N 118.995 -2.316 . . . . 0.0 105.924 -170.146 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.614 ' HE2' ' H ' ' A' ' 88' ' ' TRP . 7.9 t-80 -76.45 139.75 40.99 Favored 'General case' 0 C--N 1.358 0.96 0 CA-C-N 120.148 1.34 . . . . 0.0 110.106 178.19 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.523 ' HB2' HD21 ' A' ' 66' ' ' LEU . 2.0 m120 -59.05 -29.64 67.46 Favored 'General case' 0 C--N 1.371 1.542 0 O-C-N 120.19 -1.569 . . . . 0.0 114.128 172.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.371 1.7 t30 -64.88 -29.13 70.07 Favored 'General case' 0 C--N 1.369 1.456 0 N-CA-C 115.513 1.672 . . . . 0.0 115.513 176.141 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.421 ' HA ' ' ND2' ' A' ' 47' ' ' ASN . 4.9 mt -76.58 -37.17 29.16 Favored 'Isoleucine or valine' 0 C--N 1.369 1.43 0 C-N-CA 127.705 2.402 . . . . 0.0 111.265 171.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.8 m -73.43 -36.62 48.91 Favored 'Isoleucine or valine' 0 C--N 1.362 1.122 0 O-C-N 121.002 -1.061 . . . . 0.0 110.164 174.025 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.463 ' CE1' ' CE2' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -64.53 -52.9 55.4 Favored 'General case' 0 C--N 1.387 2.21 0 C-N-CA 129.308 3.043 . . . . 0.0 110.016 175.471 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.421 ' ND2' ' HA ' ' A' ' 44' ' ' ILE . 4.3 p30 -62.04 -27.28 68.78 Favored 'General case' 0 C--N 1.376 1.726 0 C-N-CA 127.315 2.246 . . . . 0.0 113.884 175.668 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -76.35 -45.61 31.22 Favored 'General case' 0 C--N 1.367 1.331 0 C-N-CA 124.957 1.303 . . . . 0.0 111.524 174.3 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.529 ' CE2' HG23 ' A' ' 50' ' ' ILE . 1.4 t80 -61.35 -47.88 83.87 Favored 'General case' 0 C--N 1.358 0.97 0 C-N-CA 130.777 3.631 . . . . 0.0 114.265 175.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.529 HG23 ' CE2' ' A' ' 49' ' ' TYR . 6.0 pt -80.24 -5.13 7.99 Favored 'Isoleucine or valine' 0 C--N 1.354 0.792 0 N-CA-C 120.525 3.528 . . . . 0.0 120.525 -174.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.5 t -79.04 6.64 8.94 Favored 'General case' 0 CA--C 1.556 1.179 0 CA-C-N 119.36 0.982 . . . . 0.0 112.241 172.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -90.9 -154.35 0.35 Allowed 'General case' 0 CA--C 1.559 1.324 0 C-N-CA 131.574 3.95 . . . . 0.0 106.824 172.658 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.51 -42.43 64.82 Favored 'General case' 0 C--N 1.363 1.157 0 O-C-N 117.75 -3.094 . . . . 0.0 116.757 -179.538 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -62.08 12.45 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.108 1 C-N-CA 137.592 6.357 . . . . 0.0 121.287 -172.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . 0.293 0.8 OUTLIER -38.88 59.31 0.0 OUTLIER 'General case' 0 C--N 1.36 1.063 1 N-CA-C 122.294 4.183 . . . . 0.0 122.294 -173.182 . . . . . . . . 4 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.57 HG23 ' HB3' ' A' ' 60' ' ' ALA . 59.9 mt -96.97 111.58 27.2 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.865 1 C-N-CA 134.942 5.297 . . . . 0.0 107.778 178.361 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 19.9 t60 -94.98 -177.18 4.07 Favored 'General case' 0 C--N 1.347 0.48 0 CA-C-N 122.759 2.527 . . . . 0.0 109.799 177.251 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.499 ' HE3' HD12 ' A' ' 66' ' ' LEU . 2.7 tpp -53.49 -22.76 8.65 Favored 'General case' 0 N--CA 1.494 1.774 0 CA-C-O 125.039 2.352 . . . . 0.0 114.468 175.737 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -84.65 -8.97 58.68 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 129.574 3.15 . . . . 0.0 112.546 179.512 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.57 ' HB3' HG23 ' A' ' 56' ' ' ILE . . . -99.59 37.46 1.59 Allowed 'General case' 0 C--N 1.368 1.373 0 C-N-CA 127.019 2.127 . . . . 0.0 111.666 173.309 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . 0.303 2.7 t -162.98 163.63 26.03 Favored 'General case' 0 C--N 1.361 1.089 0 C-N-CA 125.543 1.537 . . . . 0.0 108.086 -175.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -75.52 0.18 18.15 Favored 'General case' 0 C--N 1.379 1.882 0 C-N-CA 129.052 2.941 . . . . 0.0 117.714 -172.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.435 ' CZ2' ' HE2' ' A' ' 16' ' ' MET . 3.3 m-90 -96.46 118.5 33.11 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 127.069 2.148 . . . . 0.0 105.88 178.597 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.403 ' H ' ' HG2' ' A' ' 64' ' ' GLU . 10.1 pt-20 -87.11 -8.89 56.56 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 120.859 1.663 . . . . 0.0 114.345 -178.476 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 27.6 p -134.23 153.88 51.59 Favored 'General case' 0 C--N 1.347 0.46 0 N-CA-C 105.365 -2.087 . . . . 0.0 105.365 -176.188 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.523 HD21 ' HB2' ' A' ' 42' ' ' ASN . 10.4 tp -65.37 -32.9 74.78 Favored 'General case' 0 C--N 1.372 1.544 0 C-N-CA 127.093 2.157 . . . . 0.0 112.094 179.291 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.48 HG23 ' CE2' ' A' ' 88' ' ' TRP . 52.6 m -57.32 -46.66 83.01 Favored 'General case' 0 C--N 1.358 0.938 1 C-N-CA 135.562 5.545 . . . . 0.0 113.858 175.472 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -72.0 -26.76 62.35 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 126.186 1.795 . . . . 0.0 115.414 178.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -70.48 -38.41 74.39 Favored 'General case' 0 C--N 1.356 0.856 0 C-N-CA 127.998 2.519 . . . . 0.0 110.206 170.421 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.607 ' HB ' HG21 ' A' ' 81' ' ' VAL . 0.7 OUTLIER -71.34 -34.08 70.19 Favored 'General case' 0 C--N 1.356 0.881 0 C-N-CA 126.483 1.913 . . . . 0.0 111.893 173.712 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 49.6 mmtt -64.38 -34.11 77.4 Favored 'General case' 0 C--N 1.377 1.761 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 169.465 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 85.0 t90 -80.79 -56.94 3.8 Favored 'General case' 0 C--N 1.366 1.304 0 C-N-CA 124.883 1.273 . . . . 0.0 113.488 175.157 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . 0.426 0.0 OUTLIER -64.55 -34.5 78.4 Favored 'General case' 0 C--N 1.365 1.248 0 C-N-CA 127.495 2.318 . . . . 0.0 116.947 -175.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -56.84 -27.83 56.67 Favored Glycine 0 C--N 1.362 1.974 0 C-N-CA 128.346 2.879 . . . . 0.0 115.175 166.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 70.6 mtp85 -83.66 -18.82 36.76 Favored 'General case' 0 C--N 1.364 1.21 0 N-CA-C 115.733 1.753 . . . . 0.0 115.733 178.667 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -85.91 -9.56 56.71 Favored 'General case' 0 C--N 1.354 0.766 0 C-N-CA 124.963 1.305 . . . . 0.0 114.367 -175.172 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.55 25.32 28.27 Favored Glycine 0 C--N 1.364 2.105 0 C-N-CA 123.471 0.558 . . . . 0.0 112.487 -179.032 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.649 HD13 HD11 ' A' ' 28' ' ' LEU . 0.3 OUTLIER -116.19 -5.18 11.87 Favored 'General case' 0 CA--C 1.5 -0.943 0 CA-C-O 124.066 1.889 . . . . 0.0 110.186 -179.362 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.752 ' SG ' HG23 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -154.53 145.97 23.06 Favored 'General case' 0 CA--C 1.473 -1.996 0 O-C-N 119.254 -2.154 . . . . 0.0 114.654 -178.229 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -115.13 142.68 46.33 Favored 'General case' 0 N--CA 1.424 -1.737 0 N-CA-C 104.563 -2.384 . . . . 0.0 104.563 166.047 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.752 HG23 ' SG ' ' A' ' 79' ' ' CYS . 0.2 OUTLIER -132.89 150.12 32.61 Favored 'Isoleucine or valine' 0 C--N 1.356 0.876 0 O-C-N 118.895 -2.378 . . . . 0.0 112.546 -170.289 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -148.61 154.47 39.76 Favored 'General case' 0 C--N 1.365 1.276 0 C-N-CA 124.623 1.169 . . . . 0.0 111.498 174.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -117.23 139.59 50.6 Favored 'General case' 0 C--N 1.367 1.339 0 O-C-N 119.886 -1.759 . . . . 0.0 110.672 178.133 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.445 ' HB ' ' CD ' ' A' ' 85' ' ' PRO . 43.1 p -118.08 176.36 1.67 Allowed Pre-proline 0 C--N 1.359 1.005 0 C-N-CA 129.399 3.08 . . . . 0.0 110.06 -179.647 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.445 ' CD ' ' HB ' ' A' ' 84' ' ' THR . 21.6 Cg_exo -68.81 -1.53 7.85 Favored 'Trans proline' 0 N--CA 1.44 -1.656 0 N-CA-C 118.349 2.403 . . . . 0.0 118.349 166.238 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -115.96 -6.38 12.0 Favored 'General case' 0 C--N 1.362 1.122 0 CA-C-N 120.936 1.698 . . . . 0.0 112.938 -179.067 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 155.91 -165.23 32.58 Favored Glycine 0 C--N 1.363 2.048 0 O-C-N 120.0 -1.688 . . . . 0.0 115.35 -177.25 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.614 ' H ' ' HE2' ' A' ' 41' ' ' HIS . 4.8 m95 -105.25 111.18 23.83 Favored 'General case' 0 C--N 1.363 1.187 0 C-N-CA 128.313 2.645 . . . . 0.0 110.777 176.451 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -107.33 140.08 40.8 Favored 'General case' 0 CA--C 1.499 -0.987 0 C-N-CA 127.562 2.345 . . . . 0.0 108.051 -174.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.5 pt -123.91 153.46 29.95 Favored 'Isoleucine or valine' 0 CA--C 1.476 -1.876 0 C-N-CA 127.041 2.137 . . . . 0.0 106.496 178.606 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -135.14 120.54 19.14 Favored 'General case' 0 N--CA 1.417 -2.079 1 N-CA-C 98.174 -4.75 . . . . 0.0 98.174 171.675 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.456 ' HB2' HD11 ' A' ' 31' ' ' LEU 0.54 0.1 OUTLIER -71.72 147.79 47.04 Favored 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 125.523 1.529 . . . . 0.0 111.263 -178.332 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.5 mt -86.72 115.58 27.88 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.325 0 C-N-CA 126.701 2.0 . . . . 0.0 108.275 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . 0.323 5.7 p-10 -73.57 59.61 0.63 Allowed 'General case' 0 C--N 1.372 1.574 0 N-CA-C 116.935 2.198 . . . . 0.0 116.935 -174.527 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.573 ' HE ' ' HA ' ' A' ' 95' ' ' ARG 0.296 1.2 mmp_? 3.87 -96.2 0.0 OUTLIER 'General case' 0 C--N 1.353 0.759 1 C-N-CA 133.879 4.872 . . . . 0.0 117.738 171.444 . . . . . . . . 4 3 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -102.84 113.3 65.99 Favored Pre-proline 0 C--N 1.351 0.633 0 CA-C-O 113.555 -3.117 . . . . 0.0 103.333 158.116 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -56.37 -24.14 50.3 Favored 'Trans proline' 0 C--N 1.357 0.976 2 C-N-CA 127.034 5.156 . . . . 0.0 116.939 -170.363 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -64.74 -29.35 70.33 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 125.29 1.436 . . . . 0.0 113.424 169.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -64.74 -43.07 94.55 Favored 'General case' 0 C--N 1.365 1.246 0 O-C-N 119.052 -2.28 . . . . 0.0 110.374 173.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.401 HD12 ' H ' ' A' ' 100' ' ' ILE . 4.8 mp -72.14 -50.55 35.98 Favored 'Isoleucine or valine' 0 C--N 1.358 0.935 0 C-N-CA 130.129 3.372 . . . . 0.0 112.662 177.409 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 23.0 mmm180 -71.8 -27.19 62.77 Favored 'General case' 0 C--N 1.363 1.183 0 O-C-N 119.543 -1.973 . . . . 0.0 114.741 178.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.542 ' HE ' ' HG ' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -78.9 -34.59 44.58 Favored 'General case' 0 C--N 1.372 1.56 0 O-C-N 120.463 -1.398 . . . . 0.0 108.822 172.92 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.572 ' HB3' ' HA ' ' A' ' 33' ' ' ARG . 31.3 mt-30 -63.4 -34.29 77.42 Favored 'General case' 0 C--N 1.378 1.818 0 N-CA-C 115.289 1.589 . . . . 0.0 115.289 175.668 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.88 -53.84 5.83 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 124.554 1.142 . . . . 0.0 112.746 174.522 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -83.53 -58.6 2.75 Favored 'General case' 0 C--N 1.364 1.236 0 N-CA-C 119.612 3.19 . . . . 0.0 119.612 -173.137 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.542 ' HG ' ' HE ' ' A' ' 102' ' ' ARG . 3.6 mt -83.44 -49.98 8.76 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 126.884 2.073 . . . . 0.0 115.699 -172.107 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -60.04 -22.27 62.45 Favored 'General case' 0 C--N 1.375 1.694 0 C-N-CA 128.461 2.704 . . . . 0.0 113.713 -178.147 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -85.85 -3.0 58.8 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 111.971 -2.377 . . . . 0.0 115.492 178.639 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -90.43 86.48 6.46 Favored 'General case' 0 C--N 1.353 0.744 0 C-N-CA 126.627 1.971 . . . . 0.0 109.905 177.344 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -85.49 82.94 8.08 Favored 'General case' 0 C--N 1.353 0.737 0 C-N-CA 126.046 1.738 . . . . 0.0 111.002 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 84.9 tttt . . . . . 0 C--N 1.353 0.726 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 -179.951 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.495 -1.201 0 N-CA-C 110.401 -1.08 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 -148.31 -73.24 0.19 Allowed 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 105.696 -1.964 . . . . 0.0 105.696 176.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.21 81.8 1.93 Allowed 'General case' 0 C--N 1.353 0.742 0 C-N-CA 123.892 0.877 . . . . 0.0 109.518 -177.308 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.8 pm0 -102.45 -9.65 20.07 Favored 'General case' 0 C--N 1.361 1.067 0 C-N-CA 125.535 1.534 . . . . 0.0 113.07 179.294 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 mt 73.7 -56.71 0.64 Allowed 'General case' 0 C--N 1.358 0.962 0 C-N-CA 129.962 3.305 . . . . 0.0 112.911 176.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . 0.257 0.4 OUTLIER 77.55 -154.87 0.03 OUTLIER 'General case' 0 C--N 1.354 0.804 0 C-N-CA 130.816 3.646 . . . . 0.0 113.82 175.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 56.4 mt -119.37 10.25 11.86 Favored 'General case' 0 CA--C 1.501 -0.941 0 C-N-CA 125.555 1.542 . . . . 0.0 109.341 175.594 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 67.91 -60.41 0.4 Allowed 'General case' 0 C--N 1.364 1.213 0 N-CA-C 117.035 2.235 . . . . 0.0 117.035 175.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.349 82.7 p 83.49 -115.53 0.01 OUTLIER 'General case' 0 C--N 1.356 0.879 0 C-N-CA 129.623 3.169 . . . . 0.0 113.195 178.721 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -157.55 -168.14 2.48 Favored 'General case' 0 N--CA 1.431 -1.417 0 N-CA-C 105.643 -1.984 . . . . 0.0 105.643 -178.374 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 83.24 76.97 0.08 OUTLIER Pre-proline 0 C--N 1.354 0.79 0 C-N-CA 127.716 2.407 . . . . 0.0 113.358 174.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_endo -77.51 72.14 6.14 Favored 'Trans proline' 0 C--N 1.362 1.266 0 C-N-CA 124.699 3.6 . . . . 0.0 113.373 -175.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 -106.08 -52.45 2.8 Favored 'General case' 0 C--N 1.355 0.83 0 C-N-CA 126.457 1.903 . . . . 0.0 108.755 178.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.6 mm100 -67.94 -6.02 19.96 Favored 'General case' 0 C--N 1.37 1.491 0 C-N-CA 129.748 3.219 . . . . 0.0 114.526 178.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -109.06 0.3 19.84 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 126.889 2.076 . . . . 0.0 109.396 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -67.08 -29.87 69.75 Favored 'General case' 0 C--N 1.384 2.088 0 C-N-CA 125.109 1.363 . . . . 0.0 113.85 176.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -64.92 -49.83 68.88 Favored 'General case' 0 C--N 1.361 1.09 0 O-C-N 120.39 -1.444 . . . . 0.0 113.014 174.26 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -70.55 -52.15 23.66 Favored 'General case' 0 C--N 1.363 1.165 0 C-N-CA 126.996 2.118 . . . . 0.0 115.5 172.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.271 21.2 m-85 -73.59 -34.48 65.11 Favored 'General case' 0 C--N 1.371 1.502 0 O-C-N 121.033 -1.042 . . . . 0.0 113.195 -177.721 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . 0.311 1.7 t -71.15 -30.04 65.96 Favored 'General case' 0 C--N 1.374 1.634 0 O-C-N 120.683 -1.26 . . . . 0.0 111.847 170.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.433 ' O ' ' HB2' ' A' ' 25' ' ' ASN . 87.5 tt0 -69.98 -49.56 50.35 Favored 'General case' 0 C--N 1.372 1.569 0 CA-C-N 120.225 1.375 . . . . 0.0 113.026 170.399 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -72.33 -32.53 66.61 Favored 'General case' 0 C--N 1.371 1.529 0 CA-C-N 120.973 1.715 . . . . 0.0 114.619 177.496 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -73.09 -53.59 10.68 Favored 'General case' 0 C--N 1.374 1.644 0 O-C-N 120.394 -1.441 . . . . 0.0 111.305 170.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.345 0.0 OUTLIER -70.53 -31.24 68.22 Favored 'General case' 0 C--N 1.365 1.27 0 N-CA-C 116.139 1.903 . . . . 0.0 116.139 -178.633 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.433 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 3.0 m-80 -71.0 -50.98 28.23 Favored 'General case' 0 C--N 1.371 1.533 0 CA-C-N 121.481 1.946 . . . . 0.0 114.199 172.364 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -76.08 -35.9 59.19 Favored 'General case' 0 C--N 1.367 1.344 0 N-CA-C 114.074 1.139 . . . . 0.0 114.074 -178.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -68.29 -38.27 81.49 Favored 'General case' 0 C--N 1.374 1.644 0 C-N-CA 125.939 1.696 . . . . 0.0 111.158 174.304 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.08 -43.03 83.65 Favored 'General case' 0 C--N 1.382 2.021 0 C-N-CA 125.499 1.52 . . . . 0.0 109.109 172.794 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.08 -52.42 63.26 Favored 'General case' 0 C--N 1.356 0.871 0 N-CA-C 115.468 1.655 . . . . 0.0 115.468 172.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . 0.45 0.0 OUTLIER -72.54 -34.38 67.49 Favored 'General case' 0 C--N 1.374 1.663 0 N-CA-C 116.386 1.995 . . . . 0.0 116.386 173.944 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 tt -58.92 -51.06 71.67 Favored 'General case' 0 C--N 1.369 1.451 0 C-N-CA 128.914 2.886 . . . . 0.0 111.256 171.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.4 mtp180 -64.35 -45.77 86.36 Favored 'General case' 0 C--N 1.363 1.169 0 C-N-CA 127.828 2.451 . . . . 0.0 114.417 174.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.547 HH21 ' HG2' ' A' ' 107' ' ' GLU 0.38 2.0 ptp180 -72.46 -51.99 17.78 Favored 'General case' 0 C--N 1.375 1.704 0 N-CA-C 121.359 3.837 . . . . 0.0 121.359 170.016 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -83.2 -31.43 27.09 Favored 'General case' 0 C--N 1.349 0.562 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 -170.392 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -113.07 -33.77 5.92 Favored 'General case' 0 C--N 1.354 0.793 0 C-N-CA 125.234 1.414 . . . . 0.0 112.032 -174.405 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.72 -116.13 4.56 Favored Glycine 0 C--N 1.388 3.439 0 O-C-N 119.856 -1.777 . . . . 0.0 111.709 -167.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.4 p -126.43 108.51 11.26 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 101.083 -3.673 . . . . 0.0 101.083 170.238 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.6 ttmt -150.13 150.36 31.55 Favored 'General case' 0 CA--C 1.512 -0.511 0 C-N-CA 124.594 1.157 . . . . 0.0 108.756 179.105 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.29 107.76 5.07 Favored 'General case' 0 C--N 1.363 1.16 0 C-N-CA 126.345 1.858 . . . . 0.0 110.931 174.707 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.5 p -151.26 154.81 7.83 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.352 0 N-CA-C 104.966 -2.235 . . . . 0.0 104.966 -171.363 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.514 ' CE1' ' H ' ' A' ' 88' ' ' TRP . 12.0 t60 -85.24 134.74 34.13 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 126.471 1.908 . . . . 0.0 111.19 -177.009 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.463 ' HB2' HD21 ' A' ' 66' ' ' LEU 0.291 0.6 OUTLIER -57.65 -32.62 67.46 Favored 'General case' 0 C--N 1.379 1.85 0 N-CA-C 115.721 1.748 . . . . 0.0 115.721 -178.538 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.564 ' O ' ' HB3' ' A' ' 47' ' ' ASN 0.267 10.3 m120 -63.0 -27.71 69.6 Favored 'General case' 0 C--N 1.371 1.516 0 CA-C-O 116.125 -1.893 . . . . 0.0 112.594 168.689 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.1 mt -76.74 -37.28 28.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 CA-C-N 124.634 3.379 . . . . 0.0 112.885 171.34 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.2 m -73.85 -40.38 53.13 Favored 'Isoleucine or valine' 0 C--N 1.361 1.071 0 C-N-CA 124.225 1.01 . . . . 0.0 111.744 174.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.98 -52.92 57.37 Favored 'General case' 0 C--N 1.394 2.525 0 C-N-CA 129.226 3.011 . . . . 0.0 107.442 173.018 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.564 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 0.1 OUTLIER -60.03 -26.79 66.38 Favored 'General case' 0 C--N 1.362 1.14 0 CA-C-N 121.675 2.034 . . . . 0.0 116.46 175.766 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -77.35 -50.07 13.57 Favored 'General case' 0 C--N 1.363 1.157 0 C-N-CA 124.175 0.99 . . . . 0.0 110.795 174.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -56.69 -40.05 74.89 Favored 'General case' 0 C--N 1.366 1.316 1 C-N-CA 132.222 4.209 . . . . 0.0 112.671 175.565 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.444 HG23 ' CE1' ' A' ' 55' ' ' HIS . 1.0 OUTLIER -58.05 -28.33 33.81 Favored 'Isoleucine or valine' 0 C--N 1.354 0.797 0 C-N-CA 131.087 3.755 . . . . 0.0 113.646 -175.532 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 94.7 p -81.76 -3.74 54.57 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 117.388 2.366 . . . . 0.0 117.388 -176.187 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -96.99 -141.83 0.29 Allowed 'General case' 0 C--N 1.363 1.18 0 C-N-CA 127.186 2.194 . . . . 0.0 111.847 -176.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.39 -43.11 42.04 Favored 'General case' 0 C--N 1.375 1.684 0 O-C-N 118.91 -2.369 . . . . 0.0 113.914 179.511 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -64.01 12.01 0.04 OUTLIER 'General case' 0 N--CA 1.44 -0.955 1 C-N-CA 139.461 7.104 . . . . 0.0 118.527 -174.629 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.444 ' CE1' HG23 ' A' ' 50' ' ' ILE . 15.0 t60 -54.73 72.8 0.0 OUTLIER 'General case' 0 C--N 1.361 1.071 0 C-N-CA 129.376 3.07 . . . . 0.0 117.929 -175.099 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.452 HG23 ' HB3' ' A' ' 60' ' ' ALA . 68.7 mt -103.17 141.19 19.51 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.084 1 C-N-CA 132.763 4.425 . . . . 0.0 105.016 176.906 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -107.84 161.21 15.11 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 106.565 -1.642 . . . . 0.0 106.565 170.381 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -51.52 -25.36 6.49 Favored 'General case' 0 N--CA 1.49 1.555 1 C-N-CA 132.584 4.353 . . . . 0.0 116.436 -177.066 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . 0.316 8.8 m120 -80.21 -20.52 44.49 Favored 'General case' 0 N--CA 1.427 -1.579 1 C-N-CA 134.679 5.191 . . . . 0.0 110.674 -174.602 . . . . . . . . 3 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.452 ' HB3' HG23 ' A' ' 56' ' ' ILE . . . -94.72 46.97 1.15 Allowed 'General case' 0 C--N 1.383 2.063 0 C-N-CA 128.026 2.53 . . . . 0.0 111.552 169.486 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.5 p -146.04 172.03 13.99 Favored 'General case' 0 C--N 1.353 0.738 0 N-CA-C 104.655 -2.35 . . . . 0.0 104.655 -176.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -92.14 1.72 57.03 Favored 'General case' 0 C--N 1.374 1.663 0 CA-C-O 124.472 2.082 . . . . 0.0 112.466 178.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 2.5 m-90 -94.27 108.59 20.47 Favored 'General case' 0 N--CA 1.439 -1.003 0 C-N-CA 127.969 2.508 . . . . 0.0 106.464 176.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -74.22 -12.58 60.61 Favored 'General case' 0 C--N 1.357 0.905 0 N-CA-C 115.694 1.739 . . . . 0.0 115.694 -177.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 38.8 p -138.85 155.9 47.75 Favored 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 104.477 -2.416 . . . . 0.0 104.477 -179.09 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.463 HD21 ' HB2' ' A' ' 42' ' ' ASN . 5.9 tp -64.98 -29.02 69.91 Favored 'General case' 0 C--N 1.368 1.373 0 C-N-CA 128.127 2.571 . . . . 0.0 112.62 176.605 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.551 HG23 ' CZ2' ' A' ' 88' ' ' TRP . 41.4 m -59.63 -43.72 93.74 Favored 'General case' 0 C--N 1.36 1.04 1 C-N-CA 135.773 5.629 . . . . 0.0 111.751 177.502 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.97 -26.35 62.22 Favored 'General case' 0 C--N 1.357 0.914 0 C-N-CA 126.83 2.052 . . . . 0.0 115.682 176.473 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -74.62 -37.63 62.76 Favored 'General case' 0 C--N 1.358 0.962 0 C-N-CA 127.385 2.274 . . . . 0.0 109.4 173.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.597 ' HB ' HG21 ' A' ' 81' ' ' VAL . 1.6 p -71.58 -34.45 69.93 Favored 'General case' 0 C--N 1.355 0.826 0 C-N-CA 126.959 2.103 . . . . 0.0 110.76 172.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.1 mmtt -62.9 -37.16 85.83 Favored 'General case' 0 C--N 1.375 1.691 0 N-CA-C 116.084 1.883 . . . . 0.0 116.084 167.196 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 90.7 t90 -80.83 -49.46 11.05 Favored 'General case' 0 C--N 1.368 1.403 0 C-N-CA 127.331 2.252 . . . . 0.0 113.948 178.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . 0.303 5.2 tp -65.39 -33.97 77.21 Favored 'General case' 0 C--N 1.351 0.668 0 C-N-CA 129.32 3.048 . . . . 0.0 113.084 178.4 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.417 ' HA2' ' O ' ' A' ' 79' ' ' CYS . . . -61.77 -30.9 76.29 Favored Glycine 0 C--N 1.375 2.705 0 C-N-CA 128.184 2.802 . . . . 0.0 115.978 160.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -84.02 -45.14 13.41 Favored 'General case' 0 C--N 1.36 1.05 0 C-N-CA 127.046 2.138 . . . . 0.0 115.367 177.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -68.08 -19.41 64.86 Favored 'General case' 0 C--N 1.364 1.209 0 C-N-CA 127.869 2.468 . . . . 0.0 113.823 -178.007 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.41 25.8 29.7 Favored Glycine 0 C--N 1.359 1.819 0 CA-C-N 115.909 -0.587 . . . . 0.0 114.019 176.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.9 mt -97.34 -37.98 9.82 Favored 'General case' 0 C--N 1.365 1.281 0 CA-C-N 118.745 1.273 . . . . 0.0 110.042 173.078 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.467 ' HA ' ' HA ' ' A' ' 92' ' ' TYR . 25.8 m -133.84 149.79 51.38 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 121.362 1.892 . . . . 0.0 115.301 178.448 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -106.93 117.17 33.35 Favored 'General case' 0 C--N 1.366 1.305 0 C-N-CA 125.082 1.353 . . . . 0.0 111.64 175.557 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.598 HG22 HG22 ' A' ' 90' ' ' ILE . 0.6 OUTLIER -99.78 154.09 4.33 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.82 0 N-CA-C 117.727 2.491 . . . . 0.0 117.727 -172.122 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -147.89 150.42 34.06 Favored 'General case' 0 C--N 1.355 0.83 0 CA-C-N 111.659 -2.519 . . . . 0.0 110.336 174.485 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 70.4 tt0 -117.96 139.05 51.71 Favored 'General case' 0 C--N 1.368 1.386 0 O-C-N 120.21 -1.556 . . . . 0.0 109.754 175.051 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.419 ' HB ' ' CD ' ' A' ' 85' ' ' PRO . 60.2 p -121.31 175.53 2.39 Favored Pre-proline 0 CA--C 1.499 -0.994 0 C-N-CA 130.323 3.449 . . . . 0.0 111.047 -174.527 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.419 ' CD ' ' HB ' ' A' ' 84' ' ' THR . 23.8 Cg_exo -66.97 -8.39 21.52 Favored 'Trans proline' 0 N--CA 1.443 -1.446 0 N-CA-C 118.308 2.388 . . . . 0.0 118.308 166.315 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -109.41 -6.32 15.5 Favored 'General case' 0 C--N 1.363 1.162 0 CA-C-N 120.325 1.42 . . . . 0.0 112.75 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 143.3 -164.84 27.21 Favored Glycine 0 C--N 1.36 1.876 0 CA-C-O 122.405 1.003 . . . . 0.0 115.311 -177.129 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.551 ' CZ2' HG23 ' A' ' 67' ' ' THR . 26.4 m95 -95.52 112.08 23.86 Favored 'General case' 0 C--N 1.366 1.304 0 C-N-CA 131.566 3.946 . . . . 0.0 110.896 179.286 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -116.84 138.2 51.68 Favored 'General case' 0 C--N 1.36 1.024 0 C-N-CA 125.421 1.489 . . . . 0.0 107.303 -178.554 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.598 HG22 HG22 ' A' ' 81' ' ' VAL . 4.8 pt -120.28 136.87 55.95 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.359 0 C-N-CA 128.86 2.864 . . . . 0.0 105.619 -178.107 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . 0.283 15.9 pt20 -121.91 114.33 20.86 Favored 'General case' 0 N--CA 1.436 -1.152 0 N-CA-C 103.285 -2.857 . . . . 0.0 103.285 171.661 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.467 ' HA ' ' HA ' ' A' ' 79' ' ' CYS 0.492 24.8 t80 -58.92 147.8 32.72 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 129.034 2.934 . . . . 0.0 114.557 -175.593 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.1 mt -90.44 111.69 23.8 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.585 1 C-N-CA 132.022 4.129 . . . . 0.0 104.28 178.674 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . 0.305 3.7 p-10 -74.99 95.92 3.09 Favored 'General case' 0 C--N 1.367 1.358 0 CA-C-O 122.644 1.212 . . . . 0.0 113.573 -176.583 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . 0.291 3.7 mmp_? -51.06 -91.86 0.0 OUTLIER 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 131.256 3.822 . . . . 0.0 115.62 -178.073 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -102.24 111.27 64.25 Favored Pre-proline 0 N--CA 1.448 -0.556 0 CA-C-O 115.357 -2.258 . . . . 0.0 105.831 163.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -59.63 -26.38 81.92 Favored 'Trans proline' 0 C--N 1.355 0.869 1 C-N-CA 126.529 4.819 . . . . 0.0 115.433 -178.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -67.33 -23.52 65.63 Favored 'General case' 0 C--N 1.361 1.103 0 C-N-CA 127.034 2.133 . . . . 0.0 111.215 169.22 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -76.22 -44.24 38.5 Favored 'General case' 0 C--N 1.365 1.282 0 O-C-N 119.213 -2.179 . . . . 0.0 110.048 170.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 49.3 mt -66.18 -50.1 71.17 Favored 'Isoleucine or valine' 0 C--N 1.36 1.06 0 C-N-CA 129.339 3.056 . . . . 0.0 111.344 179.243 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 71.9 mtt85 -70.22 -23.37 62.92 Favored 'General case' 0 C--N 1.361 1.09 0 O-C-N 118.571 -2.581 . . . . 0.0 114.082 174.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -78.97 -37.6 39.08 Favored 'General case' 0 C--N 1.373 1.63 0 C-N-CA 125.183 1.393 . . . . 0.0 111.195 171.184 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . 0.443 36.8 mt-30 -58.64 -46.83 86.27 Favored 'General case' 0 C--N 1.37 1.462 0 C-N-CA 128.519 2.728 . . . . 0.0 112.935 171.522 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -81.42 -49.63 10.42 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 115.447 1.647 . . . . 0.0 115.447 175.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -82.68 -54.15 5.37 Favored 'General case' 0 C--N 1.363 1.157 0 N-CA-C 117.939 2.57 . . . . 0.0 117.939 -172.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.3 mt -83.39 -52.38 6.58 Favored 'General case' 0 C--N 1.362 1.123 0 C-N-CA 126.618 1.967 . . . . 0.0 115.798 -175.082 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.547 ' HG2' HH21 ' A' ' 33' ' ' ARG . 31.6 tt0 -59.33 -20.19 52.57 Favored 'General case' 0 C--N 1.372 1.577 0 C-N-CA 128.543 2.737 . . . . 0.0 114.75 -176.349 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 2.6 mtmp? -91.5 -5.16 54.63 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 113.547 -1.661 . . . . 0.0 115.32 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -91.02 41.5 1.07 Allowed 'General case' 0 C--N 1.354 0.796 0 C-N-CA 128.329 2.652 . . . . 0.0 113.304 179.471 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 75.7 tttt -78.63 58.76 2.32 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 127.12 2.168 . . . . 0.0 113.4 -178.292 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm . . . . . 0 C--N 1.361 1.073 0 C-N-CA 129.465 3.106 . . . . 0.0 114.3 -179.988 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.495 -1.182 0 N-CA-C 109.699 -1.36 . . . . 0.0 109.699 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.49 162.26 32.75 Favored 'General case' 0 CA--C 1.5 -0.956 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 178.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 56.93 -52.65 0.03 OUTLIER 'General case' 0 C--N 1.362 1.134 0 C-N-CA 130.036 3.335 . . . . 0.0 118.312 174.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -95.08 -32.16 13.24 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 127.762 2.425 . . . . 0.0 109.406 172.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.302 0.5 OUTLIER 42.2 44.93 3.41 Favored 'General case' 0 C--N 1.38 1.926 0 C-N-CA 130.656 3.583 . . . . 0.0 115.449 -177.009 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.51 -40.24 64.19 Favored 'General case' 0 C--N 1.359 0.996 0 C-N-CA 129.447 3.099 . . . . 0.0 116.335 -168.206 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 78.7 4.39 2.51 Favored 'General case' 0 C--N 1.366 1.325 0 C-N-CA 128.953 2.901 . . . . 0.0 112.254 -177.182 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 79.24 17.38 0.87 Allowed 'General case' 0 C--N 1.363 1.161 0 C-N-CA 128.334 2.654 . . . . 0.0 111.822 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.3 m -60.43 52.62 0.01 OUTLIER 'General case' 0 C--N 1.361 1.104 1 C-N-CA 132.357 4.263 . . . . 0.0 120.294 -172.198 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -147.4 148.95 31.84 Favored 'General case' 0 C--N 1.359 1.016 0 C-N-CA 125.526 1.53 . . . . 0.0 110.37 172.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -141.85 109.89 6.07 Favored Pre-proline 0 C--N 1.351 0.636 1 N-CA-C 99.597 -4.223 . . . . 0.0 99.597 171.24 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -85.82 68.8 5.15 Favored 'Trans proline' 0 C--N 1.345 0.346 0 CA-C-N 124.604 2.68 . . . . 0.0 116.362 -165.105 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -108.53 -49.72 3.13 Favored 'General case' 0 C--N 1.354 0.803 0 C-N-CA 126.763 2.025 . . . . 0.0 111.544 178.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 18.4 mp0 -69.13 -19.74 64.04 Favored 'General case' 0 C--N 1.362 1.11 0 C-N-CA 130.63 3.572 . . . . 0.0 111.632 176.432 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -94.85 15.4 18.64 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 127.767 2.427 . . . . 0.0 111.467 176.118 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -74.36 -24.09 59.11 Favored 'General case' 0 C--N 1.381 1.969 0 O-C-N 120.643 -1.286 . . . . 0.0 111.412 170.626 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -73.87 -41.99 61.41 Favored 'General case' 0 C--N 1.365 1.255 0 O-C-N 119.823 -1.798 . . . . 0.0 112.218 171.378 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -71.4 -53.86 12.63 Favored 'General case' 0 C--N 1.363 1.185 0 N-CA-C 115.745 1.758 . . . . 0.0 115.745 171.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.253 23.6 m-85 -74.59 -43.75 54.06 Favored 'General case' 0 C--N 1.371 1.532 0 O-C-N 120.014 -1.679 . . . . 0.0 115.362 -178.481 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . 0.396 3.9 t -69.08 -29.33 67.41 Favored 'General case' 0 C--N 1.371 1.507 0 N-CA-C 115.714 1.746 . . . . 0.0 115.714 176.322 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -69.82 -38.17 76.47 Favored 'General case' 0 C--N 1.37 1.477 0 C-N-CA 125.526 1.531 . . . . 0.0 111.306 173.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -74.86 -49.56 20.05 Favored 'General case' 0 C--N 1.366 1.304 0 C-N-CA 125.046 1.338 . . . . 0.0 113.244 170.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.419 ' CE1' ' CE2' ' A' ' 46' ' ' TYR 0.264 44.0 t80 -63.13 -48.27 79.22 Favored 'General case' 0 C--N 1.367 1.369 0 C-N-CA 126.362 1.865 . . . . 0.0 113.458 179.138 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.627 ' NE ' HD12 ' A' ' 73' ' ' LEU 0.303 1.0 OUTLIER -69.21 -29.21 67.12 Favored 'General case' 0 C--N 1.371 1.505 0 CA-C-N 123.402 2.819 . . . . 0.0 113.743 174.031 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -68.06 -51.38 47.32 Favored 'General case' 0 C--N 1.368 1.406 0 CA-C-N 121.451 1.932 . . . . 0.0 114.363 170.619 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.427 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 65.0 m-20 -70.51 -38.44 74.29 Favored 'General case' 0 C--N 1.356 0.873 0 N-CA-C 114.615 1.339 . . . . 0.0 114.615 178.159 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -67.56 -47.9 68.51 Favored 'General case' 0 C--N 1.37 1.49 0 C-N-CA 128.29 2.636 . . . . 0.0 111.408 173.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.469 ' HB2' ' O ' ' A' ' 24' ' ' ARG 0.301 15.5 mt -66.51 -34.78 78.68 Favored 'General case' 0 C--N 1.38 1.926 0 CA-C-O 117.092 -1.433 . . . . 0.0 113.016 173.17 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -58.98 -53.98 52.31 Favored 'General case' 0 C--N 1.375 1.68 0 CA-C-N 121.572 1.987 . . . . 0.0 113.37 168.068 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.427 ' HB2' ' O ' ' A' ' 26' ' ' ASP . 2.7 tp -57.03 -37.93 72.44 Favored 'General case' 0 C--N 1.359 1.001 0 C-N-CA 128.013 2.525 . . . . 0.0 114.602 176.142 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.7 tt -67.7 -54.23 21.14 Favored 'General case' 0 C--N 1.37 1.493 0 C-N-CA 131.24 3.816 . . . . 0.0 111.32 175.002 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 34.0 mtp180 -66.13 -45.73 80.0 Favored 'General case' 0 C--N 1.357 0.919 0 C-N-CA 128.215 2.606 . . . . 0.0 116.45 177.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.533 ' HA ' ' HB3' ' A' ' 103' ' ' GLN 0.289 5.0 ptt180 -72.08 -51.21 22.61 Favored 'General case' 0 CA--C 1.472 -2.053 0 N-CA-C 117.248 2.314 . . . . 0.0 117.248 170.092 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -82.56 -32.93 28.28 Favored 'General case' 0 N--CA 1.438 -1.044 0 C-N-CA 118.268 -1.373 . . . . 0.0 114.178 -167.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -111.33 -40.56 4.37 Favored 'General case' 0 C--N 1.358 0.956 0 C-N-CA 125.693 1.597 . . . . 0.0 111.595 -174.218 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.408 ' HA2' HG23 ' A' ' 100' ' ' ILE . . . 78.31 -107.92 2.55 Favored Glycine 0 C--N 1.377 2.859 0 C-N-CA 127.861 2.648 . . . . 0.0 111.141 -168.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.8 p -124.56 108.29 11.93 Favored 'General case' 0 N--CA 1.442 -0.866 0 N-CA-C 104.053 -2.573 . . . . 0.0 104.053 171.308 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -147.8 150.3 33.96 Favored 'General case' 0 CA--C 1.509 -0.603 0 C-N-CA 125.48 1.512 . . . . 0.0 108.718 176.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.96 107.4 7.01 Favored 'General case' 0 C--N 1.366 1.319 0 CA-C-O 123.38 1.562 . . . . 0.0 110.25 172.13 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.4 p -147.95 144.85 19.05 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.896 0 N-CA-C 106.228 -1.767 . . . . 0.0 106.228 -172.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 65.3 t-80 -75.07 131.93 40.92 Favored 'General case' 0 C--N 1.357 0.933 0 C-N-CA 127.065 2.146 . . . . 0.0 111.627 -178.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.582 ' HB2' HD11 ' A' ' 66' ' ' LEU . 4.2 m120 -53.64 -39.69 65.22 Favored 'General case' 0 C--N 1.377 1.8 0 N-CA-C 115.539 1.681 . . . . 0.0 115.539 -176.788 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.261 36.0 m120 -58.06 -26.9 63.1 Favored 'General case' 0 C--N 1.365 1.26 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 172.525 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 6.9 mt -76.39 -42.49 36.24 Favored 'Isoleucine or valine' 0 C--N 1.369 1.43 0 C-N-CA 127.029 2.132 . . . . 0.0 112.019 172.369 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.1 m -73.32 -31.53 34.18 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.245 0 O-C-N 121.097 -1.002 . . . . 0.0 110.822 173.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.419 ' CE2' ' CE1' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -66.24 -53.22 39.65 Favored 'General case' 0 C--N 1.388 2.265 0 C-N-CA 128.261 2.624 . . . . 0.0 110.571 172.659 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.72 -28.31 69.8 Favored 'General case' 0 C--N 1.386 2.19 0 C-N-CA 125.188 1.395 . . . . 0.0 113.534 177.701 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.62 -41.53 45.64 Favored 'General case' 0 C--N 1.368 1.404 0 CA-C-N 114.641 -1.163 . . . . 0.0 110.799 179.264 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.54 ' CE1' HG23 ' A' ' 50' ' ' ILE . 1.5 t80 -64.11 -52.44 59.17 Favored 'General case' 0 C--N 1.367 1.341 0 C-N-CA 129.971 3.308 . . . . 0.0 112.023 172.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.54 HG23 ' CE1' ' A' ' 49' ' ' TYR . 2.9 pt -77.55 -17.55 14.21 Favored 'Isoleucine or valine' 0 C--N 1.357 0.909 0 N-CA-C 118.436 2.754 . . . . 0.0 118.436 -177.191 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.0 t -78.89 55.99 1.84 Allowed 'General case' 0 CA--C 1.564 1.516 0 O-C-N 120.28 -1.513 . . . . 0.0 110.318 171.298 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 49.5 m-70 -154.59 -170.01 3.39 Favored 'General case' 0 CA--C 1.545 0.787 2 C-N-CA 133.976 4.91 . . . . 0.0 99.656 -174.579 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.7 -40.38 96.96 Favored 'General case' 0 C--N 1.367 1.342 0 O-C-N 118.313 -2.742 . . . . 0.0 117.733 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -61.4 12.76 0.01 OUTLIER 'General case' 0 N--CA 1.444 -0.755 2 C-N-CA 136.167 5.787 . . . . 0.0 122.305 -170.261 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . 0.326 2.6 t60 -35.95 56.21 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.893 1 N-CA-C 124.577 5.028 . . . . 0.0 124.577 -175.606 . . . . . . . . 3 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.513 HG23 ' HB3' ' A' ' 60' ' ' ALA . 96.7 mt -91.34 104.39 15.44 Favored 'Isoleucine or valine' 0 C--N 1.355 0.84 0 C-N-CA 131.672 3.989 . . . . 0.0 106.798 172.278 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -91.73 -176.54 4.5 Favored 'General case' 0 CA--C 1.518 -0.272 0 O-C-N 120.368 -1.458 . . . . 0.0 109.795 -179.187 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.5 ' CE ' HD12 ' A' ' 66' ' ' LEU . 12.3 tpp -62.38 -10.15 10.45 Favored 'General case' 0 C--N 1.378 1.838 0 O-C-N 118.695 -2.503 . . . . 0.0 114.122 174.305 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -86.04 -1.94 57.84 Favored 'General case' 0 N--CA 1.424 -1.755 1 C-N-CA 133.438 4.695 . . . . 0.0 112.794 178.124 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.513 ' HB3' HG23 ' A' ' 56' ' ' ILE . . . -117.4 20.3 13.66 Favored 'General case' 0 C--N 1.368 1.398 0 C-N-CA 126.66 1.984 . . . . 0.0 113.19 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . 0.29 4.7 t -148.41 172.26 14.72 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.846 1.258 . . . . 0.0 110.295 -177.159 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -80.73 -1.27 42.02 Favored 'General case' 0 C--N 1.374 1.65 0 N-CA-C 117.153 2.279 . . . . 0.0 117.153 -173.334 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 1.5 m-90 -99.45 108.82 21.38 Favored 'General case' 0 C--N 1.353 0.733 0 C-N-CA 127.421 2.288 . . . . 0.0 106.127 176.506 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -79.03 -37.68 38.48 Favored 'General case' 0 C--N 1.36 1.038 0 CA-C-O 122.991 1.376 . . . . 0.0 112.367 -177.452 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 78.4 p -103.24 167.63 9.7 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 125.624 1.57 . . . . 0.0 107.288 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.582 HD11 ' HB2' ' A' ' 42' ' ' ASN . 9.9 tp -71.44 -34.63 70.43 Favored 'General case' 0 C--N 1.364 1.232 0 O-C-N 120.177 -1.577 . . . . 0.0 112.588 176.414 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.452 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 26.1 m -57.31 -38.76 74.52 Favored 'General case' 0 C--N 1.359 0.985 0 C-N-CA 131.526 3.93 . . . . 0.0 111.894 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -72.09 -30.49 65.15 Favored 'General case' 0 C--N 1.363 1.155 0 N-CA-C 115.658 1.725 . . . . 0.0 115.658 174.64 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.564 ' CZ ' HD13 ' A' ' 73' ' ' LEU . 7.3 t80 -73.19 -35.11 66.32 Favored 'General case' 0 C--N 1.373 1.609 0 C-N-CA 124.799 1.24 . . . . 0.0 110.019 172.339 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . 0.361 0.7 OUTLIER -71.78 -34.35 69.35 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 125.978 1.711 . . . . 0.0 112.885 177.149 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' A' ' 67' ' ' THR . 0.0 OUTLIER -62.15 -45.19 94.52 Favored 'General case' 0 C--N 1.374 1.668 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 167.184 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 79.8 t90 -76.14 -48.54 20.22 Favored 'General case' 0 C--N 1.366 1.308 0 C-N-CA 125.384 1.473 . . . . 0.0 112.461 -177.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.627 HD12 ' NE ' ' A' ' 24' ' ' ARG 0.598 0.2 OUTLIER -65.67 -34.08 77.39 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 128.678 2.791 . . . . 0.0 116.652 177.754 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -59.47 -28.05 64.32 Favored Glycine 0 C--N 1.342 0.881 0 C-N-CA 129.041 3.21 . . . . 0.0 117.207 163.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -82.26 -39.9 22.33 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 126.831 2.053 . . . . 0.0 116.361 -176.607 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -76.16 -17.88 59.36 Favored 'General case' 0 C--N 1.356 0.881 0 C-N-CA 126.173 1.789 . . . . 0.0 114.905 -172.169 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.58 23.71 45.78 Favored Glycine 0 C--N 1.354 1.582 0 C-N-CA 120.305 -0.95 . . . . 0.0 115.129 179.029 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.551 ' HB2' ' NH2' ' A' ' 24' ' ' ARG . 0.5 OUTLIER -102.28 -33.15 9.71 Favored 'General case' 0 C--O 1.211 -0.929 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 171.519 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 92' ' ' TYR . 5.0 m -136.72 138.34 40.89 Favored 'General case' 0 C--N 1.36 1.047 0 CA-C-N 122.46 2.391 . . . . 0.0 115.909 178.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -107.18 123.39 48.2 Favored 'General case' 0 C--N 1.37 1.475 0 CA-C-N 120.313 1.415 . . . . 0.0 111.998 178.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.568 HG22 HG22 ' A' ' 90' ' ' ILE . 0.2 OUTLIER -99.58 156.84 3.91 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.123 0 O-C-N 118.82 -2.425 . . . . 0.0 116.955 -170.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -145.71 149.37 34.31 Favored 'General case' 0 C--N 1.358 0.948 0 CA-C-N 111.953 -2.385 . . . . 0.0 109.395 177.372 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -121.07 139.51 53.22 Favored 'General case' 0 C--N 1.365 1.263 0 O-C-N 120.224 -1.548 . . . . 0.0 110.313 177.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.441 ' HB ' ' CD ' ' A' ' 85' ' ' PRO . 33.3 p -120.33 176.22 1.93 Allowed Pre-proline 0 CA--C 1.497 -1.069 0 C-N-CA 129.903 3.281 . . . . 0.0 109.511 -178.647 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.441 ' CD ' ' HB ' ' A' ' 84' ' ' THR . 19.6 Cg_exo -69.16 -3.69 12.11 Favored 'Trans proline' 0 N--CA 1.44 -1.629 0 N-CA-C 118.297 2.383 . . . . 0.0 118.297 166.041 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -111.89 -6.33 14.26 Favored 'General case' 0 C--N 1.364 1.214 0 CA-C-N 120.634 1.561 . . . . 0.0 112.684 -177.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 152.27 -162.97 30.07 Favored Glycine 0 C--N 1.362 2.003 0 O-C-N 120.716 -1.24 . . . . 0.0 114.98 -176.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 19.0 m95 -109.4 115.26 29.62 Favored 'General case' 0 C--N 1.359 1.016 0 C-N-CA 127.311 2.244 . . . . 0.0 109.525 177.245 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -107.93 143.2 36.9 Favored 'General case' 0 C--N 1.362 1.113 0 C-N-CA 128.282 2.633 . . . . 0.0 107.491 -177.036 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.568 HG22 HG22 ' A' ' 81' ' ' VAL . 8.6 pt -125.93 137.41 57.8 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.057 0 N-CA-C 105.973 -1.862 . . . . 0.0 105.973 -179.598 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . 0.288 16.4 pt20 -119.7 111.39 17.97 Favored 'General case' 0 N--CA 1.427 -1.585 0 N-CA-C 103.679 -2.712 . . . . 0.0 103.679 171.789 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.409 ' HA ' ' HA ' ' A' ' 79' ' ' CYS 0.503 19.7 t80 -59.43 147.99 34.42 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 127.993 2.517 . . . . 0.0 114.829 -175.812 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.9 mt -90.92 115.38 30.01 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.059 0 C-N-CA 130.666 3.586 . . . . 0.0 102.5 177.468 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . 0.266 1.2 p30 -63.48 -9.36 12.45 Favored 'General case' 0 C--N 1.355 0.824 0 N-CA-C 121.48 3.882 . . . . 0.0 121.48 -169.778 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . 0.312 28.6 mmm180 65.48 -101.01 0.07 Allowed 'General case' 0 C--N 1.347 0.484 0 C-N-CA 129.328 3.051 . . . . 0.0 110.752 177.519 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -103.34 107.5 55.95 Favored Pre-proline 0 CA--C 1.519 -0.238 0 CA-C-O 113.709 -3.043 . . . . 0.0 105.941 159.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.83 -15.11 30.54 Favored 'Trans proline' 0 C--N 1.357 1.011 1 CA-C-N 128.493 4.069 . . . . 0.0 118.043 -176.223 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -66.5 -25.78 66.85 Favored 'General case' 0 C--N 1.367 1.347 0 CA-C-N 120.362 1.437 . . . . 0.0 109.815 167.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -60.99 -36.4 79.35 Favored 'General case' 0 C--N 1.372 1.583 0 O-C-N 119.639 -1.913 . . . . 0.0 113.217 171.661 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.408 HG23 ' HA2' ' A' ' 36' ' ' GLY . 5.7 mm -73.9 -50.5 28.6 Favored 'Isoleucine or valine' 0 C--N 1.366 1.295 0 C-N-CA 130.824 3.65 . . . . 0.0 110.755 177.361 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -70.23 -40.28 74.57 Favored 'General case' 0 C--N 1.36 1.051 0 C-N-CA 126.816 2.047 . . . . 0.0 110.89 -177.568 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 -69.62 -25.77 64.11 Favored 'General case' 0 C--N 1.371 1.519 0 O-C-N 120.524 -1.36 . . . . 0.0 111.36 169.169 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.533 ' HB3' ' HA ' ' A' ' 33' ' ' ARG 0.418 51.4 mt-30 -72.99 -43.24 62.41 Favored 'General case' 0 C--N 1.367 1.344 0 N-CA-C 116.692 2.108 . . . . 0.0 116.692 172.079 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.21 -40.91 23.12 Favored 'General case' 0 C--N 1.351 0.662 0 O-C-N 119.928 -1.732 . . . . 0.0 112.671 178.123 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 78.1 mt-10 -82.49 -55.75 4.29 Favored 'General case' 0 C--N 1.364 1.196 0 N-CA-C 117.021 2.23 . . . . 0.0 117.021 -175.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 9.1 mt -83.09 -46.84 12.31 Favored 'General case' 0 C--N 1.364 1.237 0 N-CA-C 116.073 1.879 . . . . 0.0 116.073 -174.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -66.4 -8.33 25.06 Favored 'General case' 0 C--N 1.366 1.322 0 C-N-CA 128.751 2.82 . . . . 0.0 114.297 -178.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -105.87 -2.96 22.43 Favored 'General case' 0 C--N 1.347 0.493 0 C-N-CA 126.51 1.924 . . . . 0.0 114.625 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -66.3 88.03 0.12 Allowed 'General case' 0 C--N 1.357 0.898 0 C-N-CA 127.952 2.501 . . . . 0.0 115.699 -178.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . 0.276 67.6 mttm 88.97 27.12 0.03 OUTLIER 'General case' 0 C--N 1.363 1.175 0 C-N-CA 129.79 3.236 . . . . 0.0 111.777 -177.683 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 73.9 tttt . . . . . 0 C--N 1.362 1.14 0 C-N-CA 124.984 1.313 . . . . 0.0 111.725 179.777 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.492 -1.369 0 N-CA-C 108.351 -1.9 . . . . 0.0 108.351 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -79.55 -97.45 0.03 OUTLIER 'General case' 0 C--N 1.357 0.893 0 C-N-CA 128.53 2.732 . . . . 0.0 113.22 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.8 mpp_? -87.27 62.17 7.09 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 127.924 2.49 . . . . 0.0 111.613 -177.337 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 -90.14 -15.74 30.96 Favored 'General case' 0 C--N 1.358 0.968 0 C-N-CA 128.355 2.662 . . . . 0.0 113.885 -179.455 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 mm? 70.15 -54.22 0.62 Allowed 'General case' 0 C--N 1.365 1.248 0 C-N-CA 128.795 2.838 . . . . 0.0 114.686 178.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . 0.256 6.1 tp 69.82 -60.98 0.46 Allowed 'General case' 0 C--N 1.357 0.924 0 C-N-CA 128.797 2.839 . . . . 0.0 118.56 173.193 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.289 54.2 mt 74.92 -26.01 0.2 Allowed 'General case' 0 C--N 1.359 1.018 0 C-N-CA 130.214 3.405 . . . . 0.0 116.649 -178.736 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 79.62 26.77 0.37 Allowed 'General case' 0 C--N 1.357 0.902 0 C-N-CA 126.936 2.095 . . . . 0.0 114.087 172.204 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.3 m -65.33 52.08 0.03 OUTLIER 'General case' 0 C--N 1.361 1.08 0 N-CA-C 119.718 3.229 . . . . 0.0 119.718 -173.399 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -89.5 -20.83 23.37 Favored 'General case' 0 C--N 1.357 0.93 0 C-N-CA 126.826 2.05 . . . . 0.0 111.54 175.117 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 45.3 m-20 81.89 65.78 0.12 Allowed Pre-proline 0 C--N 1.362 1.117 0 C-N-CA 130.695 3.598 . . . . 0.0 111.419 179.536 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.67 -24.42 21.78 Favored 'Trans proline' 0 C--N 1.371 1.737 1 C-N-CA 125.388 4.059 . . . . 0.0 115.818 -167.471 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -81.64 -7.75 59.63 Favored 'General case' 0 C--N 1.369 1.438 0 C-N-CA 127.799 2.439 . . . . 0.0 112.413 176.098 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -103.95 -54.8 2.49 Favored 'General case' 0 C--N 1.36 1.064 0 C-N-CA 128.374 2.669 . . . . 0.0 106.193 174.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -84.82 36.43 0.61 Allowed 'General case' 0 C--N 1.352 0.707 0 C-N-CA 126.66 1.984 . . . . 0.0 114.007 177.274 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 7.2 tpt -55.42 -41.73 73.17 Favored 'General case' 0 C--N 1.381 1.958 0 C-N-CA 130.25 3.42 . . . . 0.0 109.327 171.331 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -52.04 -44.78 64.38 Favored 'General case' 0 C--N 1.363 1.16 0 C-N-CA 128.585 2.754 . . . . 0.0 115.226 176.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -69.79 -51.97 29.25 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 125.167 1.387 . . . . 0.0 113.913 174.309 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -70.93 -37.12 72.89 Favored 'General case' 0 C--N 1.366 1.307 0 C-N-CA 125.232 1.413 . . . . 0.0 113.378 -178.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . 0.307 88.3 p -72.57 -31.71 65.46 Favored 'General case' 0 C--N 1.369 1.423 0 C-N-CA 124.841 1.256 . . . . 0.0 112.933 172.041 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -70.92 -48.71 52.11 Favored 'General case' 0 C--N 1.369 1.423 0 CA-C-N 121.01 1.732 . . . . 0.0 113.482 168.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -63.47 -41.54 98.59 Favored 'General case' 0 C--N 1.379 1.888 0 C-N-CA 125.801 1.64 . . . . 0.0 113.676 178.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.401 ' CZ ' ' CE1' ' A' ' 46' ' ' TYR . 21.3 t80 -73.39 -52.72 12.79 Favored 'General case' 0 C--N 1.358 0.953 0 C-N-CA 124.45 1.1 . . . . 0.0 113.005 169.159 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.508 HH11 HD12 ' A' ' 28' ' ' LEU . 16.5 ttp85 -66.97 -43.93 81.81 Favored 'General case' 0 C--N 1.363 1.196 0 CA-C-N 123.26 2.754 . . . . 0.0 116.076 -177.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -60.02 -49.92 75.75 Favored 'General case' 0 C--N 1.371 1.507 0 CA-C-N 122.458 2.39 . . . . 0.0 114.798 176.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -76.5 -34.07 58.62 Favored 'General case' 0 C--N 1.362 1.12 0 C-N-CA 127.476 2.31 . . . . 0.0 115.382 176.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -71.81 -42.49 66.96 Favored 'General case' 0 C--N 1.366 1.321 0 C-N-CA 125.406 1.483 . . . . 0.0 111.006 173.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.508 HD12 HH11 ' A' ' 24' ' ' ARG . 9.3 mt -67.08 -38.79 86.36 Favored 'General case' 0 C--N 1.379 1.871 0 C-N-CA 126.418 1.887 . . . . 0.0 111.726 178.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.09 -51.62 65.81 Favored 'General case' 0 C--N 1.359 0.994 0 C-N-CA 129.393 3.077 . . . . 0.0 113.004 172.558 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -76.2 -34.42 59.28 Favored 'General case' 0 C--N 1.363 1.194 0 C-N-CA 128.161 2.584 . . . . 0.0 114.538 178.094 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 tt -60.08 -50.74 72.51 Favored 'General case' 0 C--N 1.368 1.37 0 C-N-CA 131.091 3.756 . . . . 0.0 109.657 173.133 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.0 mtp180 -61.0 -44.03 98.01 Favored 'General case' 0 C--N 1.366 1.324 0 C-N-CA 128.311 2.645 . . . . 0.0 115.462 170.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.404 ' HA ' ' HB3' ' A' ' 103' ' ' GLN 0.38 1.7 ptp85 -73.29 -53.73 10.12 Favored 'General case' 0 C--N 1.38 1.924 0 N-CA-C 118.644 2.831 . . . . 0.0 118.644 170.001 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 24.6 mmt85 -82.48 -31.01 29.55 Favored 'General case' 0 C--N 1.353 0.728 0 N-CA-C 113.977 1.103 . . . . 0.0 113.977 -165.213 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -111.71 -35.34 5.78 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.494 1.518 . . . . 0.0 110.378 -177.424 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.44 -100.2 1.78 Allowed Glycine 0 C--N 1.387 3.371 0 C-N-CA 127.783 2.611 . . . . 0.0 109.327 -173.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.435 HG22 ' CD1' ' A' ' 92' ' ' TYR . 23.6 p -134.26 108.02 8.0 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 100.574 -3.862 . . . . 0.0 100.574 166.368 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.8 ttmt -150.0 142.58 24.49 Favored 'General case' 0 CA--C 1.501 -0.941 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.099 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.33 109.68 4.85 Favored 'General case' 0 C--N 1.354 0.783 0 C-N-CA 126.941 2.096 . . . . 0.0 112.452 173.498 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.4 p -150.56 155.18 7.75 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.083 0 N-CA-C 104.686 -2.339 . . . . 0.0 104.686 -173.258 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -86.54 132.73 33.84 Favored 'General case' 0 C--N 1.369 1.421 0 CA-C-O 125.488 2.566 . . . . 0.0 108.913 177.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.4 ' CG ' HD21 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -53.88 -30.9 47.83 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 128.144 2.578 . . . . 0.0 116.59 -178.539 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.01 -27.59 66.69 Favored 'General case' 0 C--N 1.358 0.937 0 C-N-CA 126.111 1.765 . . . . 0.0 110.812 176.788 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.8 mt -74.57 -44.51 47.05 Favored 'Isoleucine or valine' 0 C--N 1.369 1.442 0 O-C-N 120.226 -1.546 . . . . 0.0 110.734 169.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . 0.252 1.9 m -70.44 -36.05 64.75 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.325 0 C-N-CA 126.22 1.808 . . . . 0.0 113.987 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.401 ' CE1' ' CZ ' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -62.56 -50.92 69.4 Favored 'General case' 0 C--N 1.384 2.084 0 C-N-CA 129.111 2.964 . . . . 0.0 111.199 173.504 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -63.51 -27.17 69.08 Favored 'General case' 0 C--N 1.358 0.963 0 C-N-CA 129.507 3.123 . . . . 0.0 112.619 175.114 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -78.25 -38.08 43.67 Favored 'General case' 0 C--N 1.361 1.072 0 C-N-CA 124.524 1.13 . . . . 0.0 112.574 172.5 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.436 ' CE1' HG23 ' A' ' 50' ' ' ILE . 0.6 OUTLIER -65.58 -45.84 81.71 Favored 'General case' 0 C--N 1.359 1.006 0 C-N-CA 129.954 3.302 . . . . 0.0 113.927 175.336 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.537 HG22 ' HA ' ' A' ' 55' ' ' HIS . 2.6 pt -77.14 -20.6 14.36 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.751 0 N-CA-C 120.198 3.407 . . . . 0.0 120.198 -175.206 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.2 t -74.01 50.24 0.36 Allowed 'General case' 0 CA--C 1.565 1.547 0 O-C-N 119.75 -1.844 . . . . 0.0 112.977 176.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 -150.95 -162.74 1.61 Allowed 'General case' 0 N--CA 1.442 -0.841 1 C-N-CA 133.47 4.708 . . . . 0.0 104.159 -169.72 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.72 -37.47 76.53 Favored 'General case' 0 C--N 1.369 1.431 0 N-CA-C 116.116 1.895 . . . . 0.0 116.116 176.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -69.19 11.47 0.22 Allowed 'General case' 0 CA--C 1.502 -0.88 1 C-N-CA 133.614 4.766 . . . . 0.0 120.208 -168.784 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.537 ' HA ' HG22 ' A' ' 50' ' ' ILE 0.323 47.4 t60 -43.11 92.9 0.01 OUTLIER 'General case' 0 C--N 1.361 1.07 0 N-CA-C 119.253 3.057 . . . . 0.0 119.253 -178.67 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.451 ' O ' HG21 ' A' ' 50' ' ' ILE . 76.7 mt -124.63 152.54 30.79 Favored 'Isoleucine or valine' 0 C--N 1.354 0.783 1 C-N-CA 131.913 4.085 . . . . 0.0 106.242 179.586 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -114.82 149.47 37.0 Favored 'General case' 0 C--N 1.347 0.469 0 N-CA-C 103.746 -2.687 . . . . 0.0 103.746 168.157 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -51.76 -22.28 3.45 Favored 'General case' 0 C--N 1.378 1.819 0 N-CA-C 118.245 2.683 . . . . 0.0 118.245 -176.674 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -69.6 -22.1 63.53 Favored 'General case' 0 N--CA 1.428 -1.557 1 C-N-CA 132.737 4.415 . . . . 0.0 111.118 -178.344 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -80.18 30.94 0.27 Allowed 'General case' 0 C--N 1.384 2.108 0 C-N-CA 127.655 2.382 . . . . 0.0 116.391 173.102 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.45 HG21 ' CZ3' ' A' ' 63' ' ' TRP . 30.8 p -129.26 -154.23 0.62 Allowed 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 126.483 1.913 . . . . 0.0 111.893 -171.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -116.68 10.01 14.22 Favored 'General case' 0 C--N 1.373 1.59 0 CA-C-O 124.06 1.886 . . . . 0.0 109.769 171.621 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.45 ' CZ3' HG21 ' A' ' 61' ' ' THR . 3.0 m0 -98.4 106.18 18.42 Favored 'General case' 0 N--CA 1.435 -1.221 0 C-N-CA 128.323 2.649 . . . . 0.0 105.656 178.186 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -77.34 -7.26 55.76 Favored 'General case' 0 C--N 1.364 1.236 0 C-N-CA 127.436 2.295 . . . . 0.0 114.921 -175.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.1 t -163.46 161.08 24.03 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 100.233 -3.988 . . . . 0.0 100.233 -178.213 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.4 HD21 ' CG ' ' A' ' 42' ' ' ASN . 4.3 tp -56.92 -34.16 67.69 Favored 'General case' 0 C--N 1.369 1.415 0 C-N-CA 127.221 2.208 . . . . 0.0 114.199 -176.471 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.67 HG23 ' CZ2' ' A' ' 88' ' ' TRP . 44.5 m -55.86 -41.29 74.13 Favored 'General case' 0 C--N 1.359 1.015 0 C-N-CA 130.567 3.547 . . . . 0.0 112.893 -177.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -71.42 -27.36 63.24 Favored 'General case' 0 C--N 1.354 0.766 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 177.252 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -70.04 -38.61 75.89 Favored 'General case' 0 C--N 1.372 1.555 0 CA-C-O 123.515 1.626 . . . . 0.0 110.037 170.108 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.61 ' HB ' HG21 ' A' ' 81' ' ' VAL . 0.7 OUTLIER -70.69 -33.59 71.07 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 126.306 1.842 . . . . 0.0 112.211 178.765 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.415 ' HG2' ' O ' ' A' ' 67' ' ' THR . 0.0 OUTLIER -65.54 -39.21 91.48 Favored 'General case' 0 C--N 1.378 1.813 0 C-N-CA 124.809 1.244 . . . . 0.0 114.198 168.074 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 70.7 t90 -76.02 -55.63 5.42 Favored 'General case' 0 C--N 1.368 1.374 0 C-N-CA 126.151 1.781 . . . . 0.0 112.417 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . 0.421 0.0 OUTLIER -65.32 -35.05 79.8 Favored 'General case' 0 C--N 1.352 0.682 0 C-N-CA 126.743 2.017 . . . . 0.0 114.775 178.562 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -61.24 -30.57 74.3 Favored Glycine 0 C--N 1.371 2.482 0 C-N-CA 126.785 2.136 . . . . 0.0 114.625 163.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -83.25 -31.82 26.77 Favored 'General case' 0 C--N 1.364 1.225 0 C-N-CA 126.389 1.876 . . . . 0.0 114.57 177.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -79.05 -7.07 57.82 Favored 'General case' 0 C--N 1.367 1.339 0 O-C-N 120.667 -1.271 . . . . 0.0 112.82 176.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 84.4 34.04 18.04 Favored Glycine 0 C--N 1.358 1.769 0 C-N-CA 124.485 1.04 . . . . 0.0 113.963 178.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.4 HD23 ' HD3' ' A' ' 95' ' ' ARG . 0.2 OUTLIER -114.47 4.85 15.38 Favored 'General case' 0 C--N 1.365 1.25 0 CA-C-O 123.042 1.401 . . . . 0.0 108.777 176.464 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.499 ' SG ' HG23 ' A' ' 81' ' ' VAL . 26.3 t -154.62 152.53 30.11 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 116.638 2.088 . . . . 0.0 116.638 174.721 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 63.3 mttt -114.81 110.45 19.72 Favored 'General case' 0 N--CA 1.431 -1.415 1 C-N-CA 131.856 4.062 . . . . 0.0 104.842 168.628 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.61 HG21 ' HB ' ' A' ' 70' ' ' THR . 0.2 OUTLIER -112.43 146.88 16.63 Favored 'Isoleucine or valine' 0 C--N 1.352 0.716 0 O-C-N 118.73 -2.481 . . . . 0.0 112.976 -172.437 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -143.87 154.44 43.37 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 125.138 1.375 . . . . 0.0 111.723 175.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 77.6 tt0 -124.76 139.84 53.48 Favored 'General case' 0 C--N 1.369 1.445 0 O-C-N 119.828 -1.795 . . . . 0.0 111.51 179.316 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.449 ' HB ' ' CD ' ' A' ' 85' ' ' PRO . 61.7 p -119.21 176.81 1.55 Allowed Pre-proline 0 C--N 1.357 0.898 0 C-N-CA 130.969 3.708 . . . . 0.0 110.546 -178.3 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.449 ' CD ' ' HB ' ' A' ' 84' ' ' THR . 15.4 Cg_exo -69.95 -8.37 23.44 Favored 'Trans proline' 0 N--CA 1.442 -1.531 0 N-CA-C 118.206 2.349 . . . . 0.0 118.206 166.514 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.95 -6.1 14.26 Favored 'General case' 0 C--N 1.365 1.266 0 CA-C-N 121.596 1.998 . . . . 0.0 112.64 -178.526 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 156.16 -177.49 33.17 Favored Glycine 0 C--N 1.358 1.773 0 O-C-N 120.23 -1.544 . . . . 0.0 114.642 -177.627 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.67 ' CZ2' HG23 ' A' ' 67' ' ' THR . 9.2 m95 -93.37 107.39 19.23 Favored 'General case' 0 C--N 1.359 1.006 0 C-N-CA 129.32 3.048 . . . . 0.0 110.322 178.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -102.19 126.17 49.09 Favored 'General case' 0 C--N 1.355 0.813 0 N-CA-C 105.734 -1.95 . . . . 0.0 105.734 -178.058 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.491 ' HB ' ' SG ' ' A' ' 79' ' ' CYS . 1.0 OUTLIER -115.22 136.01 53.34 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.668 0 N-CA-C 103.525 -2.768 . . . . 0.0 103.525 -174.495 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -128.54 113.92 16.09 Favored 'General case' 0 CA--C 1.486 -1.518 1 N-CA-C 98.051 -4.796 . . . . 0.0 98.051 179.697 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.435 ' CD1' HG22 ' A' ' 37' ' ' THR 0.547 0.0 OUTLIER -72.98 147.99 44.66 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.569 1.148 . . . . 0.0 111.64 -178.038 . . . . . . . . 4 4 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -86.71 119.27 34.37 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.071 0 C-N-CA 128.007 2.523 . . . . 0.0 105.833 -177.725 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . 0.269 4.5 p-10 -76.62 97.92 4.55 Favored 'General case' 0 C--N 1.362 1.139 0 CA-C-N 120.734 1.606 . . . . 0.0 112.282 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.4 ' HD3' HD23 ' A' ' 78' ' ' LEU 0.256 25.1 mmm180 -43.35 -77.17 0.02 OUTLIER 'General case' 0 C--N 1.359 1.005 1 C-N-CA 131.704 4.001 . . . . 0.0 114.263 -178.796 . . . . . . . . 4 3 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -102.97 133.2 20.49 Favored Pre-proline 0 CA--C 1.537 0.459 0 CA-C-O 113.663 -3.065 . . . . 0.0 104.655 153.264 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -68.98 -18.95 40.47 Favored 'Trans proline' 0 C--N 1.36 1.139 2 CA-C-N 129.706 4.502 . . . . 0.0 112.846 174.352 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -67.33 -28.4 67.95 Favored 'General case' 0 C--N 1.364 1.229 0 C-N-CA 124.7 1.2 . . . . 0.0 110.967 168.569 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.429 ' O ' ' HB2' ' A' ' 103' ' ' GLN 0.297 0.5 OUTLIER -65.39 -34.57 78.61 Favored 'General case' 0 C--N 1.373 1.625 0 O-C-N 119.637 -1.915 . . . . 0.0 112.992 175.366 . . . . . . . . 4 4 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.439 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 1.7 mp -73.28 -51.0 27.61 Favored 'Isoleucine or valine' 0 C--N 1.376 1.726 0 C-N-CA 130.675 3.59 . . . . 0.0 110.466 173.647 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 43.3 mtp-105 -67.68 -38.58 83.93 Favored 'General case' 0 C--N 1.369 1.445 0 O-C-N 120.01 -1.681 . . . . 0.0 112.656 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 8.4 mmt180 -73.1 -22.7 60.51 Favored 'General case' 0 C--N 1.372 1.578 0 C-N-CA 125.765 1.626 . . . . 0.0 110.251 171.526 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.429 ' HB2' ' O ' ' A' ' 99' ' ' THR 0.271 0.0 OUTLIER -69.4 -54.95 11.86 Favored 'General case' 0 C--N 1.363 1.172 0 N-CA-C 115.306 1.595 . . . . 0.0 115.306 170.504 . . . . . . . . 4 4 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 100' ' ' ILE . 0.1 OUTLIER -76.27 -43.1 43.25 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 125.391 1.476 . . . . 0.0 114.874 -177.353 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -81.74 -38.44 25.7 Favored 'General case' 0 C--N 1.367 1.357 0 N-CA-C 116.391 1.997 . . . . 0.0 116.391 -174.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 8.8 mt -80.46 -23.25 40.34 Favored 'General case' 0 C--N 1.365 1.262 0 O-C-N 120.415 -1.428 . . . . 0.0 114.36 -178.016 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 56.4 tt0 -60.79 -13.76 17.29 Favored 'General case' 0 C--N 1.365 1.265 0 C-N-CA 130.799 3.639 . . . . 0.0 112.225 175.496 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -96.77 -11.95 24.31 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 126.847 2.059 . . . . 0.0 113.332 -177.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -112.78 53.87 0.73 Allowed 'General case' 0 C--N 1.354 0.763 0 C-N-CA 127.299 2.24 . . . . 0.0 111.105 -175.065 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -90.91 2.32 56.3 Favored 'General case' 0 C--N 1.359 0.996 0 C-N-CA 125.353 1.461 . . . . 0.0 114.598 -177.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 59.1 tptt . . . . . 0 C--N 1.352 0.685 0 N-CA-C 106.217 -1.772 . . . . 0.0 106.217 178.131 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.487 -1.659 0 N-CA-C 107.433 -2.267 . . . . 0.0 107.433 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -112.5 -3.3 14.44 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 129.166 2.987 . . . . 0.0 109.332 176.133 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.1 ttt85 -171.97 -165.36 0.35 Allowed 'General case' 0 C--N 1.361 1.107 0 C-N-CA 126.449 1.9 . . . . 0.0 109.027 -172.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 31.3 tp60 64.55 -46.96 0.32 Allowed 'General case' 0 C--N 1.369 1.417 0 C-N-CA 130.864 3.666 . . . . 0.0 118.689 175.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 5' ' ' LEU 0.342 3.7 mm? 87.8 59.92 0.01 OUTLIER 'General case' 0 C--N 1.354 0.763 0 C-N-CA 130.103 3.361 . . . . 0.0 109.79 -178.132 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.8 mt -79.46 151.15 31.0 Favored 'General case' 0 C--N 1.356 0.88 0 C-N-CA 127.652 2.381 . . . . 0.0 114.433 178.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 58.9 mt -108.13 36.01 2.94 Favored 'General case' 0 C--N 1.364 1.208 0 CA-C-O 123.989 1.852 . . . . 0.0 107.069 172.594 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 77.01 -59.18 0.49 Allowed 'General case' 0 N--CA 1.437 -1.086 0 C-N-CA 131.179 3.792 . . . . 0.0 110.506 -178.509 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.285 86.5 p 71.59 45.12 0.47 Allowed 'General case' 0 C--N 1.362 1.116 0 C-N-CA 129.331 3.052 . . . . 0.0 112.181 176.065 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -85.48 -28.43 25.0 Favored 'General case' 0 C--N 1.362 1.124 0 N-CA-C 115.693 1.738 . . . . 0.0 115.693 -173.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 65.11 54.36 1.15 Allowed Pre-proline 0 C--N 1.356 0.874 0 C-N-CA 128.128 2.571 . . . . 0.0 117.305 -177.536 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_endo -75.31 53.82 3.59 Favored 'Trans proline' 0 C--N 1.361 1.232 1 C-N-CA 125.381 4.054 . . . . 0.0 111.935 176.795 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -69.43 -35.59 75.85 Favored 'General case' 0 C--N 1.37 1.473 0 C-N-CA 129.655 3.182 . . . . 0.0 111.187 179.292 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -71.26 -8.64 54.98 Favored 'General case' 0 C--N 1.358 0.968 0 C-N-CA 126.958 2.103 . . . . 0.0 113.389 174.601 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -114.94 19.79 15.56 Favored 'General case' 0 C--N 1.363 1.166 0 C-N-CA 126.543 1.937 . . . . 0.0 108.882 178.258 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -62.11 -37.24 84.35 Favored 'General case' 0 C--N 1.388 2.278 0 C-N-CA 126.717 2.007 . . . . 0.0 112.621 178.609 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -56.07 -52.48 64.12 Favored 'General case' 0 C--N 1.368 1.371 0 C-N-CA 127.373 2.269 . . . . 0.0 113.251 171.604 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -70.97 -52.7 18.22 Favored 'General case' 0 C--N 1.366 1.288 0 N-CA-C 116.052 1.871 . . . . 0.0 116.052 172.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.369 63.0 m-85 -73.6 -33.81 64.76 Favored 'General case' 0 C--N 1.374 1.672 0 CA-C-N 120.076 1.307 . . . . 0.0 113.486 -175.185 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.3 t -73.24 -31.27 64.02 Favored 'General case' 0 C--N 1.378 1.836 0 O-C-N 121.028 -1.045 . . . . 0.0 113.431 168.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -70.94 -48.98 50.43 Favored 'General case' 0 C--N 1.372 1.568 0 CA-C-N 121.934 2.152 . . . . 0.0 113.497 171.608 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -65.87 -41.11 92.03 Favored 'General case' 0 C--N 1.372 1.568 0 C-N-CA 125.379 1.472 . . . . 0.0 113.442 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.434 ' CZ ' ' CE2' ' A' ' 46' ' ' TYR . 11.0 t80 -73.4 -53.94 9.51 Favored 'General case' 0 C--N 1.366 1.308 0 O-C-N 121.118 -0.989 . . . . 0.0 112.754 168.466 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.458 ' HG3' HD13 ' A' ' 28' ' ' LEU 0.3 36.6 ttp85 -70.43 -35.48 73.42 Favored 'General case' 0 C--N 1.368 1.392 0 N-CA-C 119.563 3.172 . . . . 0.0 119.563 -175.423 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -62.95 -51.12 68.11 Favored 'General case' 0 C--N 1.379 1.855 0 CA-C-N 122.238 2.29 . . . . 0.0 113.307 176.488 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -69.59 -44.24 71.19 Favored 'General case' 0 C--N 1.358 0.947 0 C-N-CA 128.356 2.663 . . . . 0.0 113.704 174.094 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -63.48 -46.59 85.47 Favored 'General case' 0 C--N 1.368 1.408 0 C-N-CA 126.212 1.805 . . . . 0.0 113.122 175.125 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.639 HD11 HD11 ' A' ' 73' ' ' LEU . 5.8 mp -66.29 -35.84 81.42 Favored 'General case' 0 C--N 1.382 2.005 0 CA-C-N 121.227 1.83 . . . . 0.0 112.588 175.759 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -59.65 -53.21 60.68 Favored 'General case' 0 C--N 1.363 1.194 0 C-N-CA 126.9 2.08 . . . . 0.0 113.298 172.066 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.461 HD21 ' HG2' ' A' ' 48' ' ' GLU . 0.4 OUTLIER -64.96 -37.52 87.93 Favored 'General case' 0 C--N 1.358 0.953 0 C-N-CA 129.077 2.951 . . . . 0.0 115.507 178.088 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.496 HD13 HD23 ' A' ' 28' ' ' LEU . 1.8 tt -64.41 -51.26 64.08 Favored 'General case' 0 C--N 1.374 1.642 0 C-N-CA 131.316 3.846 . . . . 0.0 109.507 171.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.4 mtm180 -62.95 -46.73 86.38 Favored 'General case' 0 C--N 1.362 1.14 0 N-CA-C 116.016 1.858 . . . . 0.0 116.016 174.191 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . 0.322 13.6 ptt180 -72.58 -53.67 11.29 Favored 'General case' 0 CA--C 1.494 -1.207 0 N-CA-C 119.819 3.266 . . . . 0.0 119.819 172.453 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.408 HH21 ' HG2' ' A' ' 48' ' ' GLU . 9.7 mtm180 -83.12 -20.5 34.71 Favored 'General case' 0 C--N 1.357 0.919 0 N-CA-C 114.57 1.322 . . . . 0.0 114.57 -171.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -120.7 -35.64 3.33 Favored 'General case' 0 C--N 1.358 0.97 0 C-N-CA 125.216 1.406 . . . . 0.0 112.996 -176.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 72.67 -117.0 5.93 Favored Glycine 0 C--N 1.396 3.862 0 O-C-N 119.135 -2.228 . . . . 0.0 111.163 -165.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.46 HG22 ' CD2' ' A' ' 92' ' ' TYR . 27.4 p -122.85 108.19 12.73 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 101.731 -3.433 . . . . 0.0 101.731 169.39 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -140.56 143.12 35.17 Favored 'General case' 0 CA--C 1.505 -0.751 0 C-N-CA 124.54 1.136 . . . . 0.0 109.715 178.402 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.34 108.14 11.46 Favored 'General case' 0 C--N 1.362 1.145 0 CA-C-O 124.615 2.15 . . . . 0.0 110.307 170.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.2 p -143.74 156.46 16.22 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.107 0 C-N-CA 128.115 2.566 . . . . 0.0 104.308 -167.639 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -83.66 141.38 31.54 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 120.021 -1.675 . . . . 0.0 110.762 178.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -63.43 -28.14 69.77 Favored 'General case' 0 C--N 1.363 1.184 0 N-CA-C 116.79 2.144 . . . . 0.0 116.79 -177.466 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.492 ' O ' ' HB3' ' A' ' 47' ' ' ASN . 4.2 t-20 -63.68 -49.36 73.46 Favored 'General case' 0 C--N 1.373 1.589 0 C-N-CA 126.312 1.845 . . . . 0.0 108.619 170.167 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.258 4.4 mt -54.27 -42.05 55.18 Favored 'Isoleucine or valine' 0 C--N 1.365 1.274 0 CA-C-N 121.587 1.994 . . . . 0.0 116.244 172.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.0 m -71.86 -39.65 67.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 O-C-N 120.589 -1.319 . . . . 0.0 112.044 174.052 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.434 ' CE2' ' CZ ' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -65.06 -51.31 62.19 Favored 'General case' 0 C--N 1.384 2.07 0 C-N-CA 127.46 2.304 . . . . 0.0 111.427 175.638 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.492 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -59.22 -30.1 68.0 Favored 'General case' 0 C--N 1.367 1.351 0 C-N-CA 130.378 3.471 . . . . 0.0 113.793 176.402 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.461 ' HG2' HD21 ' A' ' 30' ' ' LEU . 22.5 tt0 -81.3 -45.48 16.15 Favored 'General case' 0 C--N 1.364 1.215 0 C-N-CA 126.003 1.721 . . . . 0.0 111.261 177.388 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.468 ' CD2' HG23 ' A' ' 50' ' ' ILE . 0.2 OUTLIER -57.21 -45.52 83.72 Favored 'General case' 0 C--N 1.37 1.482 0 C-N-CA 129.565 3.146 . . . . 0.0 113.298 176.401 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.468 HG23 ' CD2' ' A' ' 49' ' ' TYR . 9.5 pt -80.26 -1.38 4.66 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.614 0 N-CA-C 121.058 3.725 . . . . 0.0 121.058 -176.279 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.9 t -84.41 8.34 16.6 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 119.623 1.101 . . . . 0.0 112.736 175.616 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 69.3 m-70 -98.84 -155.11 0.49 Allowed 'General case' 0 CA--C 1.553 1.083 1 C-N-CA 132.395 4.278 . . . . 0.0 106.595 174.1 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.69 -40.72 84.37 Favored 'General case' 0 C--N 1.369 1.451 0 O-C-N 118.152 -2.842 . . . . 0.0 116.854 179.667 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -63.61 11.75 0.03 OUTLIER 'General case' 0 CA--C 1.498 -1.048 1 C-N-CA 135.912 5.685 . . . . 0.0 121.224 -169.285 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . 0.304 59.2 t60 -47.57 102.74 0.03 OUTLIER 'General case' 0 C--N 1.367 1.351 0 C-N-CA 127.378 2.271 . . . . 0.0 117.085 -178.451 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 37.3 mt -134.22 162.46 39.07 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.054 1 C-N-CA 133.919 4.888 . . . . 0.0 100.879 -177.464 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -134.68 154.23 51.63 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 102.629 -3.1 . . . . 0.0 102.629 165.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.68 -13.76 0.28 Allowed 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 119.878 3.288 . . . . 0.0 119.878 -172.535 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -85.68 -20.26 29.66 Favored 'General case' 0 N--CA 1.417 -2.107 1 C-N-CA 132.574 4.35 . . . . 0.0 109.735 -173.551 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -92.65 46.65 1.25 Allowed 'General case' 0 C--N 1.381 1.972 0 C-N-CA 130.585 3.554 . . . . 0.0 113.567 175.046 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . 0.297 10.1 t -162.75 -171.74 2.83 Favored 'General case' 0 C--N 1.356 0.881 0 O-C-N 121.657 -0.652 . . . . 0.0 110.538 -174.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -73.97 -26.1 60.29 Favored 'General case' 0 C--N 1.364 1.213 0 C-N-CA 126.694 1.998 . . . . 0.0 116.169 -175.38 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -92.79 117.33 29.9 Favored 'General case' 0 N--CA 1.438 -1.032 0 C-N-CA 126.119 1.768 . . . . 0.0 109.633 -177.327 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -68.7 -49.18 60.97 Favored 'General case' 0 C--N 1.364 1.232 0 C-N-CA 125.033 1.333 . . . . 0.0 114.047 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 67.7 p -105.36 157.47 17.31 Favored 'General case' 0 C--N 1.35 0.623 0 C-N-CA 126.437 1.895 . . . . 0.0 106.144 -178.552 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.6 tp -66.7 -28.15 68.21 Favored 'General case' 0 C--N 1.37 1.47 0 O-C-N 119.082 -2.262 . . . . 0.0 112.943 178.335 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.608 HG23 ' CZ2' ' A' ' 88' ' ' TRP . 33.1 m -58.21 -40.54 81.87 Favored 'General case' 0 C--N 1.36 1.039 1 C-N-CA 133.163 4.585 . . . . 0.0 110.785 176.943 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -72.76 -29.61 63.46 Favored 'General case' 0 C--N 1.357 0.91 0 N-CA-C 116.903 2.186 . . . . 0.0 116.903 172.397 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.415 ' CZ ' HD22 ' A' ' 73' ' ' LEU . 49.7 t80 -72.78 -34.88 67.23 Favored 'General case' 0 C--N 1.373 1.589 0 C-N-CA 125.143 1.377 . . . . 0.0 109.757 172.089 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.425 ' HB ' HG21 ' A' ' 81' ' ' VAL 0.293 0.8 OUTLIER -72.0 -37.66 69.79 Favored 'General case' 0 C--N 1.357 0.905 0 C-N-CA 126.437 1.895 . . . . 0.0 110.838 175.043 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.0 mmtt -63.17 -38.62 91.89 Favored 'General case' 0 C--N 1.378 1.817 0 N-CA-C 115.806 1.78 . . . . 0.0 115.806 167.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 86.7 t90 -80.57 -51.29 8.92 Favored 'General case' 0 C--N 1.361 1.099 0 C-N-CA 124.719 1.208 . . . . 0.0 113.537 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.639 HD11 HD11 ' A' ' 28' ' ' LEU . 0.5 OUTLIER -65.54 -35.29 80.42 Favored 'General case' 0 C--N 1.361 1.088 0 C-N-CA 127.542 2.337 . . . . 0.0 115.693 179.141 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -63.61 -27.73 71.42 Favored Glycine 0 C--N 1.364 2.13 0 C-N-CA 127.405 2.431 . . . . 0.0 113.666 167.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -82.17 -18.3 43.24 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 126.55 1.94 . . . . 0.0 115.916 179.067 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -76.77 -20.93 55.91 Favored 'General case' 0 C--N 1.352 0.691 0 O-C-N 120.719 -1.238 . . . . 0.0 113.26 178.181 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.66 20.97 41.85 Favored Glycine 0 C--N 1.373 2.637 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 -172.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.599 ' HB3' HD21 ' A' ' 28' ' ' LEU . 1.4 mt -101.06 -42.13 6.5 Favored 'General case' 0 CA--C 1.471 -2.072 0 C-N-CA 125.343 1.457 . . . . 0.0 111.307 175.841 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 14.3 m -123.53 156.64 35.27 Favored 'General case' 0 C--O 1.225 -0.191 0 N-CA-C 117.141 2.274 . . . . 0.0 117.141 -178.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 45.7 mttt -114.69 142.89 45.89 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 130.75 3.62 . . . . 0.0 106.257 176.139 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.425 HG21 ' HB ' ' A' ' 70' ' ' THR . 0.2 OUTLIER -139.1 141.81 35.32 Favored 'Isoleucine or valine' 0 C--N 1.352 0.694 0 O-C-N 118.956 -2.34 . . . . 0.0 111.748 -171.404 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -141.6 150.64 42.28 Favored 'General case' 0 C--N 1.363 1.164 0 CA-C-N 114.795 -1.093 . . . . 0.0 109.789 174.348 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -121.36 139.29 53.63 Favored 'General case' 0 C--N 1.366 1.324 0 O-C-N 120.509 -1.369 . . . . 0.0 109.24 177.062 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.444 ' HB ' ' CD ' ' A' ' 85' ' ' PRO . 36.1 p -119.91 176.81 1.61 Allowed Pre-proline 0 CA--C 1.499 -1.006 0 C-N-CA 129.506 3.122 . . . . 0.0 109.446 -178.008 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.444 ' CD ' ' HB ' ' A' ' 84' ' ' THR . 19.3 Cg_exo -69.72 -1.55 8.62 Favored 'Trans proline' 0 N--CA 1.44 -1.665 0 N-CA-C 117.995 2.267 . . . . 0.0 117.995 165.76 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -116.55 -6.54 11.67 Favored 'General case' 0 C--N 1.363 1.155 0 CA-C-N 120.97 1.714 . . . . 0.0 113.293 -178.087 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 157.44 -162.64 32.07 Favored Glycine 0 C--N 1.362 2.015 0 O-C-N 120.187 -1.571 . . . . 0.0 114.795 -178.161 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.608 ' CZ2' HG23 ' A' ' 67' ' ' THR . 10.3 m95 -110.34 117.4 33.52 Favored 'General case' 0 C--N 1.363 1.16 0 C-N-CA 127.232 2.213 . . . . 0.0 107.406 178.116 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -112.39 125.65 54.43 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 126.639 1.976 . . . . 0.0 106.438 -176.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -114.26 141.81 29.19 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 C-N-CA 127.971 2.508 . . . . 0.0 107.384 177.294 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -123.47 144.99 49.18 Favored 'General case' 0 N--CA 1.439 -0.996 0 N-CA-C 101.325 -3.583 . . . . 0.0 101.325 173.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.46 ' CD2' HG22 ' A' ' 37' ' ' THR 0.637 0.1 OUTLIER -96.67 150.4 20.72 Favored 'General case' 0 N--CA 1.449 -0.492 0 O-C-N 118.855 -2.403 . . . . 0.0 110.352 179.946 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . 0.264 1.9 mm -85.69 121.45 37.25 Favored 'Isoleucine or valine' 0 C--N 1.351 0.65 1 C-N-CA 132.306 4.242 . . . . 0.0 102.561 -179.329 . . . . . . . . 3 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.4 ' HB3' HG21 ' A' ' 37' ' ' THR 0.345 12.5 p-10 -78.64 81.66 4.93 Favored 'General case' 0 C--N 1.366 1.317 0 O-C-N 118.908 -2.37 . . . . 0.0 114.294 -177.093 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.419 ' HE ' ' HA ' ' A' ' 95' ' ' ARG . 1.1 mmp_? -37.59 -96.13 0.0 OUTLIER 'General case' 0 C--N 1.364 1.228 1 C-N-CA 131.846 4.058 . . . . 0.0 116.112 177.553 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -102.8 115.49 64.15 Favored Pre-proline 0 C--N 1.345 0.386 0 O-C-N 120.298 -1.501 . . . . 0.0 107.919 163.511 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -61.43 -28.37 83.72 Favored 'Trans proline' 0 C--N 1.354 0.833 1 C-N-CA 126.618 4.879 . . . . 0.0 114.359 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -71.12 -20.29 62.34 Favored 'General case' 0 C--N 1.358 0.96 0 C-N-CA 127.492 2.317 . . . . 0.0 111.38 170.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -77.08 -47.23 21.08 Favored 'General case' 0 C--N 1.371 1.505 0 O-C-N 119.44 -2.037 . . . . 0.0 109.129 167.793 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 66.7 mt -64.92 -50.32 75.6 Favored 'Isoleucine or valine' 0 C--N 1.361 1.093 0 C-N-CA 129.452 3.101 . . . . 0.0 112.635 -178.197 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -70.53 -24.3 62.79 Favored 'General case' 0 C--N 1.36 1.04 0 O-C-N 119.161 -2.212 . . . . 0.0 113.517 175.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.4 mpt_? -79.92 -34.7 38.71 Favored 'General case' 0 C--N 1.371 1.506 0 C-N-CA 125.347 1.459 . . . . 0.0 109.635 174.251 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . 0.459 37.6 mt-30 -60.6 -47.76 84.77 Favored 'General case' 0 C--N 1.366 1.292 0 C-N-CA 127.382 2.273 . . . . 0.0 112.963 170.36 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -81.28 -44.57 17.5 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 116.472 2.027 . . . . 0.0 116.472 178.047 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -83.66 -57.95 3.01 Favored 'General case' 0 C--N 1.357 0.927 0 N-CA-C 117.467 2.395 . . . . 0.0 117.467 -176.098 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.1 mt -80.44 -49.94 10.75 Favored 'General case' 0 C--N 1.365 1.25 0 C-N-CA 127.011 2.124 . . . . 0.0 116.006 -172.381 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -58.9 -11.76 3.7 Favored 'General case' 0 C--N 1.371 1.506 0 C-N-CA 129.627 3.171 . . . . 0.0 115.539 -177.293 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp -89.67 -15.48 32.54 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.304 1.842 . . . . 0.0 113.238 177.329 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.7 tmmm? -105.27 -120.49 0.22 Allowed 'General case' 0 C--N 1.359 1.006 0 C-N-CA 126.819 2.048 . . . . 0.0 110.557 -177.552 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . 0.25 48.4 mttp 71.97 -50.38 0.69 Allowed 'General case' 0 C--N 1.364 1.22 0 C-N-CA 128.373 2.669 . . . . 0.0 116.539 179.489 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 65.5 tttm . . . . . 0 C--N 1.352 0.705 0 C-N-CA 126.37 1.868 . . . . 0.0 109.037 -179.368 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.498 -0.991 0 N-CA-C 110.286 -1.126 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -39.04 150.97 0.03 OUTLIER 'General case' 0 C--N 1.36 1.048 1 C-N-CA 131.94 4.096 . . . . 0.0 119.821 -178.448 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 50.8 ttt180 69.66 -49.26 0.62 Allowed 'General case' 0 C--N 1.363 1.173 0 N-CA-C 118.376 2.732 . . . . 0.0 118.376 172.416 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -88.61 -48.42 7.57 Favored 'General case' 0 C--N 1.357 0.905 0 C-N-CA 126.36 1.864 . . . . 0.0 112.736 176.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? 66.33 48.88 1.52 Allowed 'General case' 0 C--N 1.365 1.261 0 C-N-CA 128.977 2.911 . . . . 0.0 112.528 -176.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -75.94 151.24 37.34 Favored 'General case' 0 C--N 1.37 1.473 0 N-CA-C 116.034 1.864 . . . . 0.0 116.034 -177.087 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.75 31.89 4.45 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-O 123.353 1.549 . . . . 0.0 109.808 177.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 65.24 -53.21 0.34 Allowed 'General case' 0 C--N 1.352 0.694 0 C-N-CA 128.896 2.879 . . . . 0.0 118.11 173.669 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.4 t -123.44 -143.73 0.33 Allowed 'General case' 0 C--N 1.355 0.808 0 C-N-CA 127.682 2.393 . . . . 0.0 107.206 177.361 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -177.92 -44.0 0.01 OUTLIER 'General case' 0 CA--C 1.506 -0.733 0 N-CA-C 105.476 -2.046 . . . . 0.0 105.476 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 78.87 70.78 0.17 Allowed Pre-proline 0 C--N 1.356 0.879 0 C-N-CA 130.133 3.373 . . . . 0.0 112.431 -175.221 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -86.06 20.92 1.15 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 C-N-CA 124.724 3.616 . . . . 0.0 111.91 175.38 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -64.34 -33.94 76.99 Favored 'General case' 0 C--N 1.372 1.583 0 C-N-CA 130.655 3.582 . . . . 0.0 114.01 -178.557 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -66.27 -9.98 37.87 Favored 'General case' 0 C--N 1.363 1.191 0 C-N-CA 130.533 3.533 . . . . 0.0 114.674 174.012 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -105.17 15.23 27.83 Favored 'General case' 0 C--N 1.359 0.988 0 C-N-CA 127.96 2.504 . . . . 0.0 111.156 179.051 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 16.4 tpt -61.21 -37.27 82.39 Favored 'General case' 0 C--N 1.384 2.098 0 C-N-CA 125.612 1.565 . . . . 0.0 112.368 175.382 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -60.8 -46.45 90.48 Favored 'General case' 0 C--N 1.362 1.139 0 O-C-N 119.63 -1.919 . . . . 0.0 114.312 173.097 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -70.64 -52.76 19.14 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 126.793 2.037 . . . . 0.0 115.141 174.645 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.257 19.1 m-85 -73.88 -32.31 63.54 Favored 'General case' 0 C--N 1.364 1.198 0 C-N-CA 125.513 1.525 . . . . 0.0 113.831 -178.259 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . 0.478 28.5 p -73.13 -29.72 63.09 Favored 'General case' 0 C--N 1.371 1.517 0 O-C-N 120.907 -1.12 . . . . 0.0 113.518 169.66 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -69.56 -36.03 75.94 Favored 'General case' 0 C--N 1.368 1.411 0 O-C-N 120.339 -1.476 . . . . 0.0 112.035 170.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -74.97 -49.15 20.98 Favored 'General case' 0 C--N 1.363 1.166 0 O-C-N 120.37 -1.457 . . . . 0.0 113.915 172.054 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.455 ' CZ ' ' CE1' ' A' ' 46' ' ' TYR . 25.6 t80 -73.34 -53.12 11.57 Favored 'General case' 0 C--N 1.366 1.311 0 O-C-N 120.566 -1.334 . . . . 0.0 114.529 177.671 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.398 0.0 OUTLIER -66.93 -32.37 73.57 Favored 'General case' 0 C--N 1.367 1.358 0 CA-C-N 122.109 2.231 . . . . 0.0 116.188 -178.762 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -69.82 -51.17 35.93 Favored 'General case' 0 C--N 1.367 1.341 0 O-C-N 118.913 -2.367 . . . . 0.0 114.992 171.639 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -68.22 -45.02 74.43 Favored 'General case' 0 C--N 1.363 1.189 0 C-N-CA 126.783 2.033 . . . . 0.0 112.717 -179.574 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -69.08 -39.32 79.12 Favored 'General case' 0 C--N 1.361 1.099 0 C-N-CA 127.238 2.215 . . . . 0.0 110.788 175.175 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.43 HD11 HD13 ' A' ' 78' ' ' LEU 0.302 8.2 mt -66.2 -37.18 84.96 Favored 'General case' 0 C--N 1.383 2.053 0 CA-C-N 121.948 2.158 . . . . 0.0 113.068 171.245 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -65.07 -49.62 69.37 Favored 'General case' 0 C--N 1.365 1.262 0 CA-C-N 121.429 1.922 . . . . 0.0 114.796 172.154 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.29 -37.51 87.55 Favored 'General case' 0 C--N 1.361 1.091 0 C-N-CA 127.085 2.154 . . . . 0.0 115.063 177.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.82 -39.86 76.25 Favored 'General case' 0 C--N 1.366 1.324 0 C-N-CA 128.634 2.774 . . . . 0.0 112.243 171.01 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 84.0 mtm180 -75.18 -41.79 57.24 Favored 'General case' 0 C--N 1.377 1.791 0 O-C-N 120.863 -1.148 . . . . 0.0 113.422 178.433 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.415 ' O ' HD22 ' A' ' 104' ' ' LEU 0.343 5.1 ptm180 -71.92 -53.36 13.37 Favored 'General case' 0 C--N 1.373 1.622 0 N-CA-C 117.465 2.395 . . . . 0.0 117.465 170.271 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -82.16 -29.54 31.51 Favored 'General case' 0 C--N 1.354 0.775 0 O-C-N 120.518 -1.364 . . . . 0.0 114.166 -168.209 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -111.82 -31.86 6.81 Favored 'General case' 0 C--N 1.354 0.763 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 -173.219 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 78.71 -108.39 2.65 Favored Glycine 0 C--N 1.383 3.172 0 O-C-N 119.896 -1.753 . . . . 0.0 112.591 176.147 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.625 HG21 ' HB3' ' A' ' 94' ' ' ASP . 0.1 OUTLIER -138.84 109.26 6.51 Favored 'General case' 0 CA--C 1.501 -0.917 0 N-CA-C 101.56 -3.496 . . . . 0.0 101.56 165.104 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.3 ttmt -159.68 155.96 26.96 Favored 'General case' 0 N--CA 1.437 -1.118 0 N-CA-C 103.943 -2.614 . . . . 0.0 103.943 -177.624 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -70.48 107.79 4.0 Favored 'General case' 0 CA--C 1.57 1.719 0 C-N-CA 126.373 1.869 . . . . 0.0 110.139 172.236 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -122.39 153.34 26.92 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.106 0 O-C-N 118.424 -2.672 . . . . 0.0 105.898 -176.27 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 65.0 t-80 -93.92 119.74 33.24 Favored 'General case' 0 C--N 1.35 0.603 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 174.417 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.412 ' CB ' HD21 ' A' ' 66' ' ' LEU . 41.0 m-20 -54.73 -29.88 54.71 Favored 'General case' 0 C--N 1.369 1.419 0 N-CA-C 117.944 2.572 . . . . 0.0 117.944 -174.104 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -65.94 -26.8 67.75 Favored 'General case' 0 C--N 1.367 1.329 0 C-N-CA 127.322 2.249 . . . . 0.0 112.725 170.356 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 20.1 mt -75.45 -42.39 42.61 Favored 'Isoleucine or valine' 0 C--N 1.367 1.362 0 C-N-CA 126.136 1.774 . . . . 0.0 110.12 171.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.1 m -72.82 -36.36 52.04 Favored 'Isoleucine or valine' 0 C--N 1.367 1.364 0 C-N-CA 124.756 1.223 . . . . 0.0 113.249 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.455 ' CE1' ' CZ ' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -61.18 -51.15 70.22 Favored 'General case' 0 C--N 1.385 2.123 0 C-N-CA 126.926 2.09 . . . . 0.0 111.08 176.552 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 55.1 m-80 -63.74 -27.84 69.47 Favored 'General case' 0 C--N 1.363 1.168 0 C-N-CA 130.215 3.406 . . . . 0.0 113.334 175.287 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -73.56 -41.44 62.94 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.302 1.041 . . . . 0.0 112.67 170.437 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.454 ' CE2' HG23 ' A' ' 50' ' ' ILE 0.276 1.1 t80 -67.44 -52.47 39.24 Favored 'General case' 0 C--N 1.365 1.245 0 C-N-CA 129.804 3.242 . . . . 0.0 113.667 176.728 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.486 HG21 ' O ' ' A' ' 56' ' ' ILE . 4.2 pt -76.3 -4.73 6.48 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 N-CA-C 118.511 2.782 . . . . 0.0 118.511 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 68.2 m -82.94 55.8 3.21 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.683 1.993 . . . . 0.0 108.241 170.432 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 78.2 m-70 -171.12 -172.73 1.16 Allowed 'General case' 0 C--N 1.356 0.884 1 C-N-CA 132.388 4.275 . . . . 0.0 101.571 -170.739 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.35 -36.66 71.48 Favored 'General case' 0 C--N 1.375 1.688 0 N-CA-C 118.984 2.957 . . . . 0.0 118.984 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -67.56 12.31 0.1 Allowed 'General case' 0 CA--C 1.496 -1.122 2 C-N-CA 134.589 5.156 . . . . 0.0 121.818 -167.213 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.447 ' CD2' HD12 ' A' ' 50' ' ' ILE 0.343 11.9 t-80 -41.22 95.38 0.01 OUTLIER 'General case' 0 C--N 1.362 1.141 0 N-CA-C 119.096 2.998 . . . . 0.0 119.096 179.77 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.486 ' O ' HG21 ' A' ' 50' ' ' ILE . 60.0 mt -134.15 138.16 50.64 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.259 1 C-N-CA 132.846 4.458 . . . . 0.0 101.695 179.79 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.402 ' CE1' ' CD1' ' A' ' 50' ' ' ILE . 0.1 OUTLIER -116.86 157.64 25.3 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 104.207 -2.516 . . . . 0.0 104.207 168.877 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.23 -14.48 0.26 Allowed 'General case' 0 C--N 1.365 1.255 0 C-N-CA 129.242 3.017 . . . . 0.0 118.787 -171.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -83.02 -20.61 34.73 Favored 'General case' 0 N--CA 1.426 -1.666 0 C-N-CA 131.477 3.911 . . . . 0.0 108.765 -174.479 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.4 ' HB3' HG23 ' A' ' 56' ' ' ILE . . . -89.14 49.22 1.73 Allowed 'General case' 0 C--N 1.383 2.03 0 C-N-CA 128.651 2.78 . . . . 0.0 111.389 169.262 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 28.9 p -138.99 -143.28 0.16 Allowed 'General case' 0 C--N 1.355 0.847 0 C-N-CA 126.153 1.781 . . . . 0.0 106.716 -177.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -135.82 21.72 3.31 Favored 'General case' 0 C--N 1.365 1.251 0 CA-C-O 124.555 2.121 . . . . 0.0 108.012 174.291 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.467 ' CE3' ' HB2' ' A' ' 69' ' ' PHE . 3.7 m0 -116.48 156.08 27.48 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 128.863 2.865 . . . . 0.0 108.411 -178.529 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -101.28 -55.57 2.51 Favored 'General case' 0 C--N 1.365 1.249 0 N-CA-C 119.606 3.187 . . . . 0.0 119.606 -170.024 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.0 t -141.72 35.01 1.61 Allowed 'General case' 0 C--N 1.355 0.832 0 O-C-N 120.155 -1.59 . . . . 0.0 109.602 -169.456 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.412 HD21 ' CB ' ' A' ' 42' ' ' ASN 0.275 3.4 tp 86.73 -41.9 0.04 OUTLIER 'General case' 0 C--N 1.353 0.724 0 C-N-CA 127.619 2.368 . . . . 0.0 112.495 -177.039 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.538 HG23 ' CZ2' ' A' ' 88' ' ' TRP . 45.8 m -56.85 -39.79 74.93 Favored 'General case' 0 CA--C 1.497 -1.075 1 C-N-CA 132.985 4.514 . . . . 0.0 114.643 -172.307 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.25 -27.38 61.55 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 127.879 2.472 . . . . 0.0 116.206 171.779 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.467 ' HB2' ' CE3' ' A' ' 63' ' ' TRP . 2.8 t80 -75.57 -36.83 60.28 Favored 'General case' 0 C--N 1.363 1.177 0 C-N-CA 126.905 2.082 . . . . 0.0 108.045 172.28 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . 0.374 0.6 OUTLIER -71.76 -34.5 69.54 Favored 'General case' 0 C--N 1.359 1.022 0 C-N-CA 126.672 1.989 . . . . 0.0 110.917 174.797 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.9 mmtt -63.36 -38.17 90.12 Favored 'General case' 0 C--N 1.37 1.467 0 N-CA-C 116.12 1.896 . . . . 0.0 116.12 166.116 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 91.1 t90 -80.83 -46.92 14.57 Favored 'General case' 0 C--N 1.369 1.441 0 C-N-CA 126.436 1.894 . . . . 0.0 114.537 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.402 HD21 ' SG ' ' A' ' 79' ' ' CYS 0.33 2.6 tp -65.48 -34.65 78.78 Favored 'General case' 0 C--N 1.351 0.631 0 O-C-N 118.791 -2.443 . . . . 0.0 112.267 176.39 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.45 ' HA2' ' O ' ' A' ' 79' ' ' CYS . . . -56.94 -34.33 65.37 Favored Glycine 0 C--N 1.373 2.602 0 C-N-CA 128.602 3.001 . . . . 0.0 117.57 158.047 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 64.3 ttt-85 -83.68 -46.74 11.98 Favored 'General case' 0 C--N 1.357 0.91 0 C-N-CA 126.51 1.924 . . . . 0.0 115.84 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -68.06 -14.49 63.02 Favored 'General case' 0 C--N 1.36 1.053 0 C-N-CA 128.47 2.708 . . . . 0.0 114.787 -176.351 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.45 26.14 28.64 Favored Glycine 0 C--N 1.358 1.769 0 CA-C-O 121.46 0.478 . . . . 0.0 112.845 178.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.43 HD13 HD11 ' A' ' 28' ' ' LEU . 87.0 mt -104.29 -31.56 9.51 Favored 'General case' 0 CA--C 1.491 -1.299 0 O-C-N 121.585 -0.95 . . . . 0.0 111.51 176.78 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.465 ' SG ' HD12 ' A' ' 90' ' ' ILE . 8.0 m -141.89 154.45 45.13 Favored 'General case' 0 CA--C 1.504 -0.809 0 CA-C-N 122.476 2.398 . . . . 0.0 113.487 174.531 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -94.51 144.84 25.24 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 127.456 2.302 . . . . 0.0 105.914 169.299 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.499 HG22 HG22 ' A' ' 90' ' ' ILE . 0.2 OUTLIER -131.6 155.13 41.46 Favored 'Isoleucine or valine' 0 C--N 1.346 0.431 0 O-C-N 118.128 -2.857 . . . . 0.0 110.639 -175.006 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -151.67 145.5 25.11 Favored 'General case' 0 C--N 1.357 0.926 0 CA-C-N 114.099 -1.41 . . . . 0.0 109.545 175.372 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -116.1 139.22 50.52 Favored 'General case' 0 C--N 1.364 1.2 0 O-C-N 120.093 -1.629 . . . . 0.0 109.356 176.613 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.426 ' HB ' ' CD ' ' A' ' 85' ' ' PRO . 33.3 p -125.05 175.63 2.91 Favored Pre-proline 0 CA--C 1.496 -1.132 0 C-N-CA 127.936 2.495 . . . . 0.0 109.903 -176.44 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.426 ' CD ' ' HB ' ' A' ' 84' ' ' THR . 24.5 Cg_exo -68.49 -1.6 7.7 Favored 'Trans proline' 0 N--CA 1.442 -1.557 0 N-CA-C 117.778 2.184 . . . . 0.0 117.778 164.338 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.1 ttpp -123.05 25.89 8.33 Favored 'General case' 0 C--N 1.36 1.041 0 C-N-CA 125.467 1.507 . . . . 0.0 111.122 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 120.42 -163.95 14.01 Favored Glycine 0 C--N 1.367 2.252 0 N-CA-C 118.181 2.032 . . . . 0.0 118.181 175.593 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.538 ' CZ2' HG23 ' A' ' 67' ' ' THR . 12.3 m95 -104.61 113.32 26.82 Favored 'General case' 0 C--N 1.368 1.392 0 C-N-CA 128.317 2.647 . . . . 0.0 108.613 176.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -109.74 144.53 38.01 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 126.085 1.754 . . . . 0.0 106.55 -178.243 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.499 HG22 HG22 ' A' ' 81' ' ' VAL . 3.5 pt -130.54 136.94 57.35 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.255 0 C-N-CA 127.3 2.24 . . . . 0.0 107.42 -178.298 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . 0.272 0.0 OUTLIER -120.21 107.61 13.2 Favored 'General case' 0 N--CA 1.433 -1.303 0 N-CA-C 101.375 -3.565 . . . . 0.0 101.375 176.081 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.5 ' O ' HG22 ' A' ' 37' ' ' THR 0.257 87.4 t80 -54.74 148.9 11.96 Favored 'General case' 0 C--N 1.354 0.783 0 C-N-CA 128.666 2.787 . . . . 0.0 114.001 -178.234 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.9 mt -88.05 112.94 24.35 Favored 'Isoleucine or valine' 0 CA--C 1.482 -1.649 0 N-CA-C 104.094 -2.558 . . . . 0.0 104.094 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.625 ' HB3' HG21 ' A' ' 37' ' ' THR 0.31 7.7 p-10 -76.59 95.01 3.83 Favored 'General case' 0 C--N 1.358 0.949 0 CA-C-O 122.182 0.992 . . . . 0.0 111.088 -178.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.409 ' HD3' ' CD2' ' A' ' 78' ' ' LEU . 28.3 mtm180 -59.79 -84.56 0.01 OUTLIER 'General case' 0 N--CA 1.441 -0.889 0 C-N-CA 129.762 3.225 . . . . 0.0 113.268 -170.749 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -102.15 119.31 56.95 Favored Pre-proline 0 CA--C 1.518 -0.28 0 CA-C-O 115.348 -2.263 . . . . 0.0 106.805 162.396 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -61.09 -25.89 81.93 Favored 'Trans proline' 0 C--N 1.352 0.716 1 C-N-CA 126.667 4.911 . . . . 0.0 115.877 -176.508 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.43 ' O ' ' HB3' ' A' ' 102' ' ' ARG . 8.3 mp0 -62.83 -40.55 97.76 Favored 'General case' 0 C--N 1.374 1.64 0 C-N-CA 124.715 1.206 . . . . 0.0 109.263 166.815 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.459 HG22 HD12 ' A' ' 100' ' ' ILE . 0.8 OUTLIER -62.97 -28.0 69.79 Favored 'General case' 0 C--O 1.214 -0.809 0 O-C-N 118.429 -2.669 . . . . 0.0 115.484 172.839 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.459 HD12 HG22 ' A' ' 99' ' ' THR . 1.8 mp -75.4 -50.54 23.74 Favored 'Isoleucine or valine' 0 C--N 1.362 1.119 0 C-N-CA 128.063 2.545 . . . . 0.0 112.6 168.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -76.01 -41.25 51.62 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 126.166 1.787 . . . . 0.0 114.566 -178.384 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.43 ' HB3' ' O ' ' A' ' 98' ' ' GLU 0.396 0.0 OUTLIER -71.45 -33.96 69.81 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 126.232 1.813 . . . . 0.0 112.216 179.944 . . . . . . . . 4 4 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.448 ' HB2' ' O ' ' A' ' 99' ' ' THR . 4.1 tp60 -60.45 -35.95 77.05 Favored 'General case' 0 C--N 1.359 1.002 0 C-N-CA 126.191 1.796 . . . . 0.0 115.65 169.848 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.415 HD22 ' O ' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -81.72 -56.51 3.95 Favored 'General case' 0 C--N 1.359 0.988 0 C-N-CA 124.563 1.145 . . . . 0.0 112.465 172.238 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -66.63 -35.02 79.18 Favored 'General case' 0 C--N 1.367 1.34 0 N-CA-C 116.909 2.188 . . . . 0.0 116.909 -174.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 8.6 mt -83.29 -51.46 7.42 Favored 'General case' 0 C--N 1.364 1.231 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 176.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -67.84 -22.16 65.16 Favored 'General case' 0 C--N 1.368 1.412 0 C-N-CA 126.256 1.822 . . . . 0.0 113.671 -178.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 40.4 mttm -123.02 42.04 3.3 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 113.091 -1.868 . . . . 0.0 112.916 175.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 75.2 tttt -77.07 -38.51 52.4 Favored 'General case' 0 CA--C 1.515 -0.397 0 C-N-CA 127.548 2.339 . . . . 0.0 115.02 -177.263 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 35.1 mtmm 69.82 -53.87 0.61 Allowed 'General case' 0 C--N 1.36 1.044 0 C-N-CA 128.167 2.587 . . . . 0.0 116.29 178.251 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 84.0 tttt . . . . . 0 C--N 1.353 0.756 0 C-N-CA 126.25 1.82 . . . . 0.0 110.005 -178.203 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 18.0 tpt . . . . . 0 N--CA 1.478 0.961 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -64.85 -52.57 55.94 Favored 'General case' 0 C--N 1.361 1.091 0 O-C-N 119.627 -1.92 . . . . 0.0 111.923 173.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -71.08 -53.26 15.26 Favored 'General case' 0 C--N 1.359 0.986 0 N-CA-C 117.226 2.306 . . . . 0.0 117.226 174.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -73.79 -35.42 64.92 Favored 'General case' 0 C--N 1.363 1.193 0 C-N-CA 124.889 1.276 . . . . 0.0 113.48 -176.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . 0.29 5.2 t -72.55 -30.45 64.45 Favored 'General case' 0 C--N 1.374 1.655 0 O-C-N 121.16 -0.962 . . . . 0.0 113.093 173.038 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -70.55 -50.43 37.6 Favored 'General case' 0 C--N 1.371 1.539 0 CA-C-N 119.093 0.861 . . . . 0.0 112.641 172.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -66.83 -39.28 87.61 Favored 'General case' 0 C--N 1.37 1.476 0 C-N-CA 125.28 1.432 . . . . 0.0 113.951 175.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -71.2 -53.12 15.54 Favored 'General case' 0 C--N 1.372 1.556 0 CA-C-O 116.772 -1.585 . . . . 0.0 112.237 173.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.611 HH11 HD12 ' A' ' 28' ' ' LEU 0.361 34.6 ttp85 -70.81 -28.77 64.88 Favored 'General case' 0 C--N 1.373 1.592 0 CA-C-N 123.86 3.027 . . . . 0.0 115.415 177.518 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -64.89 -51.75 60.23 Favored 'General case' 0 C--N 1.37 1.471 0 O-C-N 119.074 -2.266 . . . . 0.0 113.762 174.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -77.17 -37.78 53.07 Favored 'General case' 0 C--N 1.354 0.761 0 N-CA-C 114.439 1.274 . . . . 0.0 114.439 175.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -69.09 -47.6 64.8 Favored 'General case' 0 C--N 1.365 1.28 0 CA-C-N 121.171 1.805 . . . . 0.0 112.447 178.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.698 HD11 HD22 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -66.8 -34.37 77.68 Favored 'General case' 0 C--N 1.368 1.378 0 C-N-CA 125.336 1.454 . . . . 0.0 112.865 176.062 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.02 -44.81 72.0 Favored 'General case' 0 C--N 1.384 2.09 0 N-CA-C 113.137 0.792 . . . . 0.0 113.137 170.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.62 -38.13 88.55 Favored 'General case' 0 C--N 1.364 1.22 0 C-N-CA 127.151 2.181 . . . . 0.0 114.419 177.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.58 -39.54 91.74 Favored 'General case' 0 C--N 1.363 1.179 0 C-N-CA 130.513 3.525 . . . . 0.0 110.262 171.286 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.497 ' HD2' HE22 ' A' ' 103' ' ' GLN . 41.8 mtm180 -74.98 -47.41 29.45 Favored 'General case' 0 N--CA 1.44 -0.941 0 N-CA-C 116.785 2.143 . . . . 0.0 116.785 176.194 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.419 ' O ' HD22 ' A' ' 104' ' ' LEU 0.322 10.3 ptt180 -72.97 -46.45 52.28 Favored 'General case' 0 CA--C 1.477 -1.847 0 N-CA-C 119.704 3.224 . . . . 0.0 119.704 172.085 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -83.59 -20.99 32.74 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 114.009 1.115 . . . . 0.0 114.009 -173.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -120.16 -40.06 2.75 Favored 'General case' 0 C--N 1.364 1.208 0 CA-C-O 118.148 -0.93 . . . . 0.0 113.234 -175.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.23 -118.23 4.65 Favored Glycine 0 C--N 1.39 3.569 0 CA-C-N 123.182 2.719 . . . . 0.0 110.595 -172.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.461 HG21 ' HB3' ' A' ' 94' ' ' ASP . 29.7 p -131.56 108.99 9.93 Favored 'General case' 0 C--N 1.351 0.641 0 N-CA-C 102.78 -3.045 . . . . 0.0 102.78 169.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -137.61 145.76 43.15 Favored 'General case' 0 CA--C 1.498 -1.022 0 C-N-CA 125.175 1.39 . . . . 0.0 108.34 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.33 108.37 8.06 Favored 'General case' 0 C--N 1.365 1.265 0 CA-C-O 123.353 1.549 . . . . 0.0 108.071 168.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.5 p -144.84 154.82 14.29 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.681 0 C-N-CA 125.285 1.434 . . . . 0.0 107.479 -168.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 62.2 t-80 -88.69 123.85 33.53 Favored 'General case' 0 C--N 1.358 0.965 0 C-N-CA 124.844 1.258 . . . . 0.0 110.944 -177.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.0 m-20 -52.64 -30.89 34.0 Favored 'General case' 0 C--N 1.365 1.258 0 N-CA-C 117.61 2.448 . . . . 0.0 117.61 -177.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -69.01 -28.16 66.33 Favored 'General case' 0 C--N 1.371 1.516 0 O-C-N 120.461 -1.4 . . . . 0.0 112.16 173.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.2 mt -72.13 -39.04 64.7 Favored 'Isoleucine or valine' 0 C--N 1.37 1.46 0 C-N-CA 126.636 1.975 . . . . 0.0 110.592 173.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.8 m -73.11 -41.16 59.02 Favored 'Isoleucine or valine' 0 C--N 1.363 1.192 0 C-N-CA 125.376 1.471 . . . . 0.0 111.249 177.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -61.3 -50.72 71.85 Favored 'General case' 0 C--N 1.381 1.977 0 C-N-CA 129.156 2.982 . . . . 0.0 112.35 175.192 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -66.95 -26.77 66.99 Favored 'General case' 0 C--N 1.363 1.189 0 C-N-CA 128.616 2.767 . . . . 0.0 112.779 176.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -75.23 -48.85 21.48 Favored 'General case' 0 C--N 1.355 0.807 0 C-N-CA 125.004 1.322 . . . . 0.0 112.037 172.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.476 ' CE2' HG23 ' A' ' 50' ' ' ILE . 0.4 OUTLIER -56.69 -52.42 65.01 Favored 'General case' 0 C--N 1.369 1.414 0 C-N-CA 130.796 3.638 . . . . 0.0 112.676 177.623 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.476 HG23 ' CE2' ' A' ' 49' ' ' TYR . 4.2 pt -72.02 -2.94 3.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 N-CA-C 120.951 3.686 . . . . 0.0 120.951 -178.481 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 96.1 p -71.82 -9.72 58.72 Favored 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 126.858 2.063 . . . . 0.0 113.544 175.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 45.5 m-70 -95.36 -153.34 0.39 Allowed 'General case' 0 CA--C 1.557 1.242 0 C-N-CA 131.248 3.819 . . . . 0.0 109.679 175.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.02 -43.14 93.41 Favored 'General case' 0 C--N 1.374 1.669 0 O-C-N 118.607 -2.558 . . . . 0.0 116.71 -178.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -62.36 11.5 0.02 OUTLIER 'General case' 0 CA--C 1.497 -1.094 1 C-N-CA 137.674 6.39 . . . . 0.0 120.952 -168.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.47 ' HD2' ' HB ' ' A' ' 50' ' ' ILE 0.332 38.2 t-80 -45.76 87.06 0.0 OUTLIER 'General case' 0 C--N 1.365 1.282 0 N-CA-C 118.517 2.784 . . . . 0.0 118.517 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.419 ' O ' HG21 ' A' ' 50' ' ' ILE . 65.0 mt -119.35 143.58 30.28 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.048 1 C-N-CA 132.638 4.375 . . . . 0.0 104.67 178.013 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.504 ' CG ' HD22 ' A' ' 59' ' ' ASN . 2.5 t-160 -108.29 152.35 24.74 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 105.623 -1.991 . . . . 0.0 105.623 169.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.99 -25.05 7.52 Favored 'General case' 0 N--CA 1.495 1.793 0 C-N-CA 127.632 2.373 . . . . 0.0 116.961 -178.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.504 HD22 ' CG ' ' A' ' 57' ' ' HIS . 13.8 m-80 -73.35 -14.86 61.37 Favored 'General case' 0 CA--C 1.574 1.879 1 C-N-CA 132.772 4.429 . . . . 0.0 111.448 -177.175 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -80.51 -1.75 43.11 Favored 'General case' 0 C--N 1.386 2.191 0 C-N-CA 129.015 2.926 . . . . 0.0 115.309 172.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 7.4 p -101.58 175.87 5.42 Favored 'General case' 0 C--N 1.351 0.64 0 C-N-CA 128.806 2.842 . . . . 0.0 110.885 -177.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -87.29 0.04 56.0 Favored 'General case' 0 C--N 1.369 1.431 0 O-C-N 120.14 -1.6 . . . . 0.0 113.062 173.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 1.9 m-90 -91.52 105.79 18.01 Favored 'General case' 0 C--N 1.36 1.032 0 C-N-CA 127.674 2.389 . . . . 0.0 107.149 177.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -74.63 -11.5 60.21 Favored 'General case' 0 C--N 1.362 1.131 0 C-N-CA 126.929 2.092 . . . . 0.0 115.259 -177.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 33.9 p -141.01 160.35 40.28 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 103.11 -2.922 . . . . 0.0 103.11 -178.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.9 tp -71.33 -26.29 62.77 Favored 'General case' 0 C--N 1.37 1.479 0 O-C-N 119.913 -1.742 . . . . 0.0 111.532 176.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.61 HG23 ' CZ2' ' A' ' 88' ' ' TRP . 41.5 m -57.87 -42.95 85.61 Favored 'General case' 0 CA--C 1.49 -1.341 1 C-N-CA 134.02 4.928 . . . . 0.0 110.664 179.434 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.96 -26.87 62.44 Favored 'General case' 0 C--N 1.356 0.856 0 C-N-CA 127.045 2.138 . . . . 0.0 116.583 174.084 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.423 ' CZ ' HD22 ' A' ' 73' ' ' LEU . 3.8 t80 -73.75 -37.09 65.17 Favored 'General case' 0 C--N 1.366 1.293 0 C-N-CA 126.767 2.027 . . . . 0.0 108.764 172.134 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.492 ' HB ' HG21 ' A' ' 81' ' ' VAL . 0.9 OUTLIER -71.65 -36.29 70.66 Favored 'General case' 0 C--N 1.36 1.06 0 C-N-CA 126.489 1.916 . . . . 0.0 111.164 174.215 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.9 mmtt -63.33 -36.62 84.3 Favored 'General case' 0 C--N 1.378 1.831 0 N-CA-C 115.673 1.731 . . . . 0.0 115.673 169.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 91.6 t90 -81.09 -54.64 5.37 Favored 'General case' 0 C--N 1.364 1.239 0 C-N-CA 126.067 1.747 . . . . 0.0 114.121 178.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.423 HD22 ' CZ ' ' A' ' 69' ' ' PHE . 0.6 OUTLIER -65.45 -35.16 80.1 Favored 'General case' 0 C--N 1.364 1.196 0 C-N-CA 128.329 2.652 . . . . 0.0 116.31 -179.63 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -62.44 -26.92 68.67 Favored Glycine 0 C--N 1.363 2.062 0 C-N-CA 128.781 3.086 . . . . 0.0 114.325 169.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 -83.17 -19.71 36.06 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 126.417 1.887 . . . . 0.0 116.013 -176.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -87.7 -17.63 31.33 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 124.994 1.318 . . . . 0.0 113.345 -174.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 93.0 25.58 19.33 Favored Glycine 0 C--N 1.367 2.291 0 CA-C-O 122.262 0.923 . . . . 0.0 110.796 -177.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.698 HD22 HD11 ' A' ' 28' ' ' LEU . 0.3 OUTLIER -109.01 -35.82 6.24 Favored 'General case' 0 CA--C 1.481 -1.679 0 C-N-CA 124.197 0.999 . . . . 0.0 109.649 176.268 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 92' ' ' TYR . 34.8 m -131.34 153.11 49.96 Favored 'General case' 0 C--N 1.345 0.401 0 N-CA-C 116.405 2.002 . . . . 0.0 116.405 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.2 tptm -111.25 144.21 40.78 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 128.84 2.856 . . . . 0.0 105.795 172.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.544 HG22 HG22 ' A' ' 90' ' ' ILE . 0.1 OUTLIER -135.46 145.85 30.98 Favored 'Isoleucine or valine' 0 C--N 1.351 0.65 0 O-C-N 118.735 -2.478 . . . . 0.0 112.669 -173.399 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -145.16 153.09 41.01 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 125.3 1.44 . . . . 0.0 110.421 174.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -122.42 138.84 54.41 Favored 'General case' 0 C--N 1.367 1.358 0 O-C-N 120.044 -1.66 . . . . 0.0 109.815 177.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.438 ' HB ' ' CD ' ' A' ' 85' ' ' PRO . 30.6 p -124.99 175.6 2.92 Favored Pre-proline 0 CA--C 1.496 -1.108 0 C-N-CA 128.284 2.634 . . . . 0.0 110.032 -176.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.438 ' CD ' ' HB ' ' A' ' 84' ' ' THR . 28.1 Cg_exo -68.04 -4.25 12.18 Favored 'Trans proline' 0 N--CA 1.44 -1.619 0 N-CA-C 117.968 2.257 . . . . 0.0 117.968 165.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -117.73 18.73 14.06 Favored 'General case' 0 C--N 1.36 1.055 0 C-N-CA 126.069 1.748 . . . . 0.0 112.284 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 128.31 -161.01 22.13 Favored Glycine 0 C--N 1.365 2.164 0 N-CA-C 117.358 1.703 . . . . 0.0 117.358 177.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.61 ' CZ2' HG23 ' A' ' 67' ' ' THR . 12.1 m95 -109.74 115.92 30.74 Favored 'General case' 0 C--N 1.364 1.237 0 C-N-CA 127.838 2.455 . . . . 0.0 107.097 177.218 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -115.03 128.26 56.15 Favored 'General case' 0 CA--C 1.498 -1.053 0 C-N-CA 126.809 2.044 . . . . 0.0 106.217 -175.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.544 HG22 HG22 ' A' ' 81' ' ' VAL . 3.2 pt -114.75 140.53 35.35 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.998 0 C-N-CA 126.682 1.993 . . . . 0.0 107.376 178.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.52 117.52 30.59 Favored 'General case' 0 N--CA 1.437 -1.104 0 N-CA-C 100.98 -3.711 . . . . 0.0 100.98 170.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.428 ' HA ' ' HA ' ' A' ' 79' ' ' CYS 0.614 0.0 OUTLIER -77.23 149.67 35.46 Favored 'General case' 0 CA--C 1.554 1.112 0 O-C-N 119.701 -1.874 . . . . 0.0 112.278 -179.656 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . 0.252 2.2 mm -85.73 123.16 39.24 Favored 'Isoleucine or valine' 0 C--N 1.351 0.648 0 C-N-CA 131.354 3.862 . . . . 0.0 107.02 -176.156 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.461 ' HB3' HG21 ' A' ' 37' ' ' THR 0.356 11.6 p-10 -74.36 34.37 0.09 Allowed 'General case' 0 C--N 1.363 1.163 0 N-CA-C 119.554 3.168 . . . . 0.0 119.554 -172.286 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.424 ' HD3' HD23 ' A' ' 78' ' ' LEU . 12.8 mmm180 23.16 -101.37 0.01 OUTLIER 'General case' 0 C--N 1.361 1.071 1 C-N-CA 133.845 4.858 . . . . 0.0 115.689 176.343 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -103.03 113.73 65.69 Favored Pre-proline 0 CA--C 1.512 -0.519 0 CA-C-O 116.248 -1.834 . . . . 0.0 106.123 159.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_exo -64.51 -29.82 61.67 Favored 'Trans proline' 0 C--N 1.359 1.101 0 C-N-CA 125.175 3.916 . . . . 0.0 114.791 -172.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -63.79 -23.6 67.43 Favored 'General case' 0 C--N 1.357 0.919 0 C-N-CA 126.136 1.774 . . . . 0.0 111.22 170.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.475 HG23 ' NE2' ' A' ' 103' ' ' GLN . 0.4 OUTLIER -76.64 -40.15 50.08 Favored 'General case' 0 C--N 1.366 1.313 0 O-C-N 119.896 -1.752 . . . . 0.0 111.157 169.436 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 34.0 mm -66.46 -49.64 73.69 Favored 'Isoleucine or valine' 0 C--N 1.367 1.345 0 C-N-CA 131.403 3.881 . . . . 0.0 110.516 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 64.0 mmt-85 -72.62 -29.85 63.82 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 127.705 2.402 . . . . 0.0 113.45 177.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -78.65 -29.14 45.62 Favored 'General case' 0 C--N 1.377 1.79 0 O-C-N 120.047 -1.658 . . . . 0.0 111.294 174.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.497 HE22 ' HD2' ' A' ' 32' ' ' ARG . 10.0 mt-30 -62.86 -59.38 4.93 Favored 'General case' 0 C--N 1.36 1.022 0 C-N-CA 127.175 2.19 . . . . 0.0 112.243 169.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.419 HD22 ' O ' ' A' ' 33' ' ' ARG 0.29 0.1 OUTLIER -48.69 -58.22 5.09 Favored 'General case' 0 CA--C 1.536 0.414 1 C-N-CA 133.972 4.909 . . . . 0.0 116.621 173.014 . . . . . . . . 5 4 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 . . . . . 0 C--N 1.364 1.237 0 N-CA-C 118.916 2.932 . . . . 0.0 118.916 178.396 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.411 ' HE1' ' CZ2' ' A' ' 72' ' ' TRP . 1.6 tmt? . . . . . 0 CA--C 1.493 -1.24 0 CA-C-O 115.924 -1.989 . . . . 0.0 114.985 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.38 -22.07 61.19 Favored 'General case' 0 C--N 1.364 1.235 0 CA-C-N 123.628 2.922 . . . . 0.0 114.517 178.245 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -71.44 -54.01 12.07 Favored 'General case' 0 C--N 1.368 1.371 0 C-N-CA 124.805 1.242 . . . . 0.0 113.661 170.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -74.59 -37.68 62.84 Favored 'General case' 0 C--N 1.365 1.271 0 C-N-CA 126.673 1.989 . . . . 0.0 114.22 177.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . 0.467 1.5 m -72.61 -28.18 62.62 Favored 'General case' 0 CA--C 1.489 -1.381 0 C-N-CA 126.945 2.098 . . . . 0.0 114.648 177.404 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.434 ' O ' ' HB2' ' A' ' 25' ' ' ASN . 35.3 tt0 -68.93 -49.11 60.9 Favored 'General case' 0 C--N 1.37 1.463 0 CA-C-N 120.15 1.341 . . . . 0.0 110.471 170.043 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -66.7 -34.09 77.08 Favored 'General case' 0 C--N 1.368 1.409 0 C-N-CA 125.41 1.484 . . . . 0.0 114.984 176.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.408 ' CZ ' ' CE1' ' A' ' 46' ' ' TYR . 8.1 t80 -73.79 -53.44 10.27 Favored 'General case' 0 C--N 1.366 1.296 0 O-C-N 119.384 -2.072 . . . . 0.0 111.027 170.057 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.468 HH12 ' HD1' ' A' ' 27' ' ' PHE 0.406 0.1 OUTLIER -70.6 -36.55 73.58 Favored 'General case' 0 C--N 1.36 1.03 0 N-CA-C 118.327 2.714 . . . . 0.0 118.327 -176.564 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 0.7 OUTLIER -66.04 -51.3 59.49 Favored 'General case' 0 C--N 1.366 1.309 0 O-C-N 119.843 -1.786 . . . . 0.0 114.811 177.35 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -73.5 -39.39 64.86 Favored 'General case' 0 C--N 1.35 0.605 0 C-N-CA 125.459 1.503 . . . . 0.0 112.164 175.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.468 ' HD1' HH12 ' A' ' 24' ' ' ARG . 25.6 t80 -67.99 -40.13 83.12 Favored 'General case' 0 C--N 1.375 1.682 0 CA-C-N 120.84 1.654 . . . . 0.0 113.248 175.681 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.569 HD11 HD22 ' A' ' 78' ' ' LEU 0.313 0.9 OUTLIER -65.26 -37.79 88.31 Favored 'General case' 0 C--N 1.38 1.924 0 CA-C-N 122.179 2.263 . . . . 0.0 112.703 172.749 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -60.19 -51.69 68.51 Favored 'General case' 0 C--N 1.38 1.907 0 CA-C-N 120.73 1.605 . . . . 0.0 113.707 168.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.4 tp -56.91 -43.13 81.09 Favored 'General case' 0 C--N 1.363 1.188 0 C-N-CA 129.167 2.987 . . . . 0.0 114.561 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.415 HD11 ' HB2' ' A' ' 92' ' ' TYR . 3.8 tt -64.32 -53.05 54.91 Favored 'General case' 0 C--N 1.369 1.417 0 C-N-CA 130.956 3.703 . . . . 0.0 110.557 175.08 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 84.1 mtm180 -63.63 -46.26 86.5 Favored 'General case' 0 C--N 1.363 1.154 0 N-CA-C 116.69 2.108 . . . . 0.0 116.69 174.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . 0.266 6.6 ptt-85 -71.98 -54.32 10.32 Favored 'General case' 0 C--N 1.371 1.51 0 N-CA-C 117.319 2.34 . . . . 0.0 117.319 172.355 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -83.05 -24.01 32.94 Favored 'General case' 0 C--N 1.355 0.808 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 -167.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -120.23 -35.33 3.47 Favored 'General case' 0 C--N 1.36 1.04 0 C-N-CA 124.648 1.179 . . . . 0.0 111.764 -175.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 75.66 -115.7 4.64 Favored Glycine 0 C--N 1.383 3.148 0 O-C-N 119.506 -1.996 . . . . 0.0 111.257 -168.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.0 p -124.18 107.84 11.66 Favored 'General case' 0 N--CA 1.437 -1.124 0 N-CA-C 102.544 -3.132 . . . . 0.0 102.544 172.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.0 ttmt -147.34 141.52 26.13 Favored 'General case' 0 CA--C 1.508 -0.659 0 C-N-CA 124.701 1.201 . . . . 0.0 108.925 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.53 108.29 4.25 Favored 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 126.234 1.814 . . . . 0.0 109.769 173.452 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.4 p -151.91 154.94 7.4 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.276 0 O-C-N 118.898 -2.376 . . . . 0.0 107.805 -170.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.425 ' HE1' ' HG ' ' A' ' 66' ' ' LEU 0.256 3.9 t-80 -79.83 125.48 29.75 Favored 'General case' 0 C--N 1.375 1.695 0 CA-C-O 124.408 2.051 . . . . 0.0 107.673 174.587 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -57.28 -22.55 42.37 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 112.756 -2.02 . . . . 0.0 113.763 177.056 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -75.14 -28.04 59.99 Favored 'General case' 0 C--N 1.368 1.389 0 O-C-N 120.441 -1.412 . . . . 0.0 111.862 176.003 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 66.3 mt -69.05 -46.3 78.71 Favored 'Isoleucine or valine' 0 C--N 1.367 1.339 0 C-N-CA 127.549 2.34 . . . . 0.0 109.07 173.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.1 m -68.83 -32.64 55.57 Favored 'Isoleucine or valine' 0 C--N 1.361 1.101 0 C-N-CA 127.215 2.206 . . . . 0.0 112.658 176.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.408 ' CE1' ' CZ ' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -62.79 -51.8 65.67 Favored 'General case' 0 C--N 1.383 2.032 0 C-N-CA 127.284 2.234 . . . . 0.0 110.457 177.315 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -60.78 -30.32 69.97 Favored 'General case' 0 C--N 1.363 1.183 0 C-N-CA 129.562 3.145 . . . . 0.0 114.463 176.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -74.78 -43.82 52.82 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.35 1.46 . . . . 0.0 112.749 173.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -66.86 -52.4 43.97 Favored 'General case' 0 C--N 1.362 1.123 0 C-N-CA 130.157 3.383 . . . . 0.0 112.512 177.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.52 ' HB ' ' CD2' ' A' ' 55' ' ' HIS . 9.2 pt -73.05 -10.03 13.56 Favored 'Isoleucine or valine' 0 C--N 1.359 1.019 0 N-CA-C 116.529 2.048 . . . . 0.0 116.529 -177.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.3 m -84.86 51.79 2.25 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 127.16 2.184 . . . . 0.0 109.641 174.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 30.1 m-70 -150.54 -150.74 0.36 Allowed 'General case' 0 C--N 1.349 0.562 0 N-CA-C 101.55 -3.5 . . . . 0.0 101.55 -175.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.81 -39.98 69.48 Favored 'General case' 0 C--N 1.367 1.335 0 O-C-N 118.729 -2.482 . . . . 0.0 115.533 177.402 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -61.61 12.23 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.562 1 C-N-CA 133.783 4.833 . . . . 0.0 121.201 -173.253 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.52 ' CD2' ' HB ' ' A' ' 50' ' ' ILE 0.492 2.5 t-160 -41.9 68.13 0.0 OUTLIER 'General case' 0 C--N 1.369 1.454 1 N-CA-C 122.623 4.305 . . . . 0.0 122.623 -172.165 . . . . . . . . 4 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.418 HG21 HD13 ' A' ' 56' ' ' ILE . 25.4 mt -87.89 175.21 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.791 1 C-N-CA 134.2 5.0 . . . . 0.0 110.425 177.429 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 22.1 t-160 -133.97 156.51 48.03 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 127.596 2.358 . . . . 0.0 105.231 167.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.507 ' HB3' HD22 ' A' ' 59' ' ' ASN . 0.0 OUTLIER -59.84 -25.22 64.83 Favored 'General case' 0 C--N 1.361 1.074 0 C-N-CA 128.746 2.818 . . . . 0.0 115.446 177.001 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.507 HD22 ' HB3' ' A' ' 58' ' ' MET 0.252 1.0 OUTLIER -86.16 1.68 49.72 Favored 'General case' 0 CA--C 1.566 1.583 0 C-N-CA 127.236 2.214 . . . . 0.0 112.822 -179.542 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -85.05 10.66 11.37 Favored 'General case' 0 C--N 1.389 2.305 0 C-N-CA 128.923 2.889 . . . . 0.0 112.809 169.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 10.4 p -115.66 175.3 5.59 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 127.879 2.471 . . . . 0.0 110.796 -176.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -85.08 2.41 43.51 Favored 'General case' 0 C--N 1.373 1.597 0 C-N-CA 126.951 2.1 . . . . 0.0 112.791 174.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.46 ' CD2' ' HB2' ' A' ' 69' ' ' PHE . 2.5 m-90 -99.73 107.38 19.45 Favored 'General case' 0 N--CA 1.438 -1.074 0 C-N-CA 130.09 3.356 . . . . 0.0 106.827 -178.283 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -65.05 -24.51 67.49 Favored 'General case' 0 C--N 1.367 1.368 0 C-N-CA 128.919 2.888 . . . . 0.0 115.299 -174.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.3 t -151.02 172.32 15.91 Favored 'General case' 0 N--CA 1.441 -0.896 0 N-CA-C 101.433 -3.543 . . . . 0.0 101.433 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.425 ' HG ' ' HE1' ' A' ' 41' ' ' HIS . 6.0 tp -62.1 -26.14 68.12 Favored 'General case' 0 C--N 1.366 1.305 0 C-N-CA 127.726 2.411 . . . . 0.0 112.298 179.031 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.658 HG23 ' CZ2' ' A' ' 88' ' ' TRP . 5.9 m -56.7 -49.45 75.08 Favored 'General case' 0 C--N 1.361 1.066 0 C-N-CA 128.062 2.545 . . . . 0.0 115.888 -179.468 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.363 86.8 m-20 -73.02 -25.72 61.06 Favored 'General case' 0 C--N 1.355 0.832 0 N-CA-C 117.13 2.27 . . . . 0.0 117.13 177.646 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.46 ' HB2' ' CD2' ' A' ' 63' ' ' TRP . 3.4 t80 -73.45 -38.94 65.31 Favored 'General case' 0 C--N 1.35 0.604 0 C-N-CA 127.09 2.156 . . . . 0.0 110.612 172.111 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.777 HG21 ' CE3' ' A' ' 88' ' ' TRP . 0.5 OUTLIER -69.87 -34.39 73.51 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 129.167 2.987 . . . . 0.0 110.557 175.583 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 45.1 mmtt -63.29 -46.51 86.44 Favored 'General case' 0 C--N 1.383 2.026 0 C-N-CA 124.519 1.128 . . . . 0.0 113.054 169.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.411 ' CZ2' ' HE1' ' A' ' 16' ' ' MET . 79.1 t90 -69.9 -53.87 16.0 Favored 'General case' 0 C--N 1.375 1.697 0 C-N-CA 126.682 1.993 . . . . 0.0 114.645 177.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.0 -35.96 82.87 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 129.269 3.027 . . . . 0.0 115.077 -179.564 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -63.84 -27.4 71.13 Favored Glycine 0 C--N 1.363 2.069 0 C-N-CA 128.562 2.982 . . . . 0.0 113.92 168.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 28.2 ttt-85 -79.09 -21.58 46.5 Favored 'General case' 0 C--N 1.36 1.053 0 N-CA-C 114.371 1.248 . . . . 0.0 114.371 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -85.14 -20.19 30.65 Favored 'General case' 0 C--N 1.357 0.904 0 N-CA-C 115.122 1.527 . . . . 0.0 115.122 -171.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 96.39 19.21 28.51 Favored Glycine 0 C--N 1.363 2.063 0 N-CA-C 111.288 -0.725 . . . . 0.0 111.288 -177.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.569 HD22 HD11 ' A' ' 28' ' ' LEU . 1.9 mt -100.49 -42.21 6.67 Favored 'General case' 0 CA--C 1.476 -1.869 0 C-N-CA 124.627 1.171 . . . . 0.0 110.716 179.185 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 4.9 m -132.84 153.16 51.56 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-O 122.756 1.265 . . . . 0.0 114.354 -176.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.404 ' HD3' HD11 ' A' ' 93' ' ' ILE . 0.1 OUTLIER -107.74 143.16 36.66 Favored 'General case' 0 C--O 1.218 -0.588 0 C-N-CA 128.277 2.631 . . . . 0.0 106.921 175.611 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -132.08 143.85 38.87 Favored 'Isoleucine or valine' 0 C--N 1.349 0.547 0 O-C-N 118.359 -2.713 . . . . 0.0 113.743 -171.457 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -140.97 154.56 46.1 Favored 'General case' 0 C--N 1.367 1.351 0 C-N-CA 127.088 2.155 . . . . 0.0 110.555 177.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -128.18 139.56 52.41 Favored 'General case' 0 C--N 1.373 1.598 0 O-C-N 120.581 -1.324 . . . . 0.0 111.372 175.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.41 ' HB ' ' CD ' ' A' ' 85' ' ' PRO . 62.3 p -122.92 174.77 3.14 Favored Pre-proline 0 C--N 1.359 1.018 0 C-N-CA 130.394 3.478 . . . . 0.0 110.331 -177.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.41 ' CD ' ' HB ' ' A' ' 84' ' ' THR . 21.9 Cg_exo -68.58 -1.57 7.73 Favored 'Trans proline' 0 N--CA 1.444 -1.414 0 N-CA-C 118.118 2.315 . . . . 0.0 118.118 165.527 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -113.99 -3.62 13.32 Favored 'General case' 0 C--N 1.36 1.031 0 CA-C-N 120.363 1.438 . . . . 0.0 112.007 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 141.01 -167.83 25.53 Favored Glycine 0 C--N 1.364 2.088 0 O-C-N 120.637 -1.289 . . . . 0.0 114.637 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.777 ' CE3' HG21 ' A' ' 70' ' ' THR . 68.4 m95 -94.06 126.12 39.1 Favored 'General case' 0 C--N 1.367 1.366 0 C-N-CA 126.725 2.01 . . . . 0.0 109.905 175.447 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -114.16 126.17 54.77 Favored 'General case' 0 CA--C 1.497 -1.064 0 N-CA-C 103.276 -2.861 . . . . 0.0 103.276 -179.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.7 pt -114.41 137.23 48.44 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.116 0 N-CA-C 104.933 -2.247 . . . . 0.0 104.933 178.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -116.04 122.8 46.27 Favored 'General case' 0 CA--C 1.484 -1.563 0 N-CA-C 103.166 -2.902 . . . . 0.0 103.166 169.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.415 ' HB2' HD11 ' A' ' 31' ' ' LEU 0.389 5.8 t80 -73.49 147.04 44.45 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.398 1.479 . . . . 0.0 111.22 178.776 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.404 HD11 ' HD3' ' A' ' 80' ' ' LYS . 2.8 mt -89.49 120.44 38.23 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.897 1 C-N-CA 133.344 4.658 . . . . 0.0 105.554 -179.852 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . 0.345 13.6 p30 -79.89 91.33 5.38 Favored 'General case' 0 C--N 1.366 1.293 0 CA-C-N 121.009 1.731 . . . . 0.0 111.641 179.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.534 ' HD2' HD23 ' A' ' 78' ' ' LEU . 1.4 mmp_? -40.12 -85.82 0.0 OUTLIER 'General case' 0 C--N 1.356 0.854 1 C-N-CA 132.672 4.389 . . . . 0.0 114.517 176.706 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -102.75 103.92 35.8 Favored Pre-proline 0 CA--C 1.536 0.439 0 CA-C-O 113.523 -3.132 . . . . 0.0 105.656 160.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -56.12 -25.08 53.0 Favored 'Trans proline' 0 C--N 1.371 1.711 2 C-N-CA 127.121 5.214 . . . . 0.0 117.02 -177.352 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -61.21 -35.27 76.75 Favored 'General case' 0 C--N 1.368 1.385 0 C-N-CA 127.644 2.378 . . . . 0.0 110.008 167.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.49 HG22 HD12 ' A' ' 100' ' ' ILE 0.268 0.4 OUTLIER -67.76 -41.79 82.78 Favored 'General case' 0 C--N 1.367 1.35 0 O-C-N 119.477 -2.014 . . . . 0.0 112.303 170.914 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.49 HD12 HG22 ' A' ' 99' ' ' THR . 1.8 mp -65.85 -50.05 72.98 Favored 'Isoleucine or valine' 0 C--N 1.37 1.465 0 CA-C-N 121.805 2.093 . . . . 0.0 111.677 174.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 75.0 mtp180 -69.07 -27.79 65.94 Favored 'General case' 0 C--N 1.365 1.258 0 O-C-N 120.029 -1.67 . . . . 0.0 114.225 177.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 55.8 mtm180 -77.87 -38.18 46.54 Favored 'General case' 0 C--N 1.371 1.537 0 C-N-CA 124.668 1.187 . . . . 0.0 110.57 171.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . 0.357 35.7 mt-30 -61.62 -34.42 75.62 Favored 'General case' 0 C--N 1.375 1.698 0 C-N-CA 125.907 1.683 . . . . 0.0 115.037 175.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.55 -57.41 3.36 Favored 'General case' 0 C--N 1.357 0.915 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 173.493 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 . . . . . 0 C--N 1.365 1.273 0 N-CA-C 119.898 3.295 . . . . 0.0 119.898 -169.348 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.472 0.635 0 N-CA-C 115.481 1.66 . . . . 0.0 115.481 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -57.02 -54.69 43.89 Favored 'General case' 0 C--N 1.363 1.185 0 C-N-CA 126.166 1.786 . . . . 0.0 114.043 176.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -70.33 -51.82 27.25 Favored 'General case' 0 C--N 1.36 1.032 0 C-N-CA 124.833 1.253 . . . . 0.0 114.346 172.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.266 20.4 m-85 -73.15 -36.13 66.59 Favored 'General case' 0 C--N 1.367 1.36 0 N-CA-C 115.433 1.642 . . . . 0.0 115.433 -175.612 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . 0.277 60.4 p -71.94 -31.8 66.7 Favored 'General case' 0 C--N 1.37 1.465 0 O-C-N 119.693 -1.879 . . . . 0.0 113.489 173.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -70.55 -48.78 53.74 Favored 'General case' 0 C--N 1.369 1.415 0 C-N-CA 124.916 1.287 . . . . 0.0 112.891 170.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -63.72 -44.79 92.55 Favored 'General case' 0 C--N 1.373 1.627 0 C-N-CA 125.375 1.47 . . . . 0.0 114.057 176.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.435 ' CE1' ' CE2' ' A' ' 46' ' ' TYR . 9.0 t80 -65.33 -52.5 53.52 Favored 'General case' 0 C--N 1.377 1.765 0 C-N-CA 126.305 1.842 . . . . 0.0 111.441 173.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 55.7 ttp85 -68.13 -28.51 67.38 Favored 'General case' 0 C--N 1.365 1.254 0 CA-C-N 121.703 2.047 . . . . 0.0 115.462 178.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -70.64 -51.62 26.74 Favored 'General case' 0 C--N 1.367 1.341 0 O-C-N 120.126 -1.609 . . . . 0.0 113.485 173.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -76.22 -31.92 58.65 Favored 'General case' 0 C--N 1.368 1.394 0 CA-C-N 119.943 1.247 . . . . 0.0 113.137 178.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -71.55 -39.66 70.53 Favored 'General case' 0 C--N 1.361 1.099 0 C-N-CA 125.709 1.604 . . . . 0.0 112.452 175.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.63 -46.21 73.16 Favored 'General case' 0 C--N 1.387 2.198 0 CA-C-N 121.721 2.055 . . . . 0.0 109.454 178.006 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -54.78 -50.86 67.45 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 128.11 2.564 . . . . 0.0 115.313 174.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . 0.456 0.0 OUTLIER -75.18 -34.24 61.53 Favored 'General case' 0 C--N 1.374 1.634 0 C-N-CA 126.236 1.815 . . . . 0.0 115.473 175.533 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.6 -53.21 60.26 Favored 'General case' 0 C--N 1.376 1.746 0 C-N-CA 129.61 3.164 . . . . 0.0 110.701 170.301 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 71.9 mtm180 -62.56 -39.45 93.69 Favored 'General case' 0 C--N 1.358 0.952 0 C-N-CA 128.046 2.539 . . . . 0.0 116.696 174.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . 0.292 9.8 ptt-85 -72.26 -53.44 12.5 Favored 'General case' 0 C--N 1.375 1.692 0 CA-C-N 123.161 2.71 . . . . 0.0 117.833 164.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.4 mmt85 -82.3 -30.56 30.48 Favored 'General case' 0 C--N 1.356 0.869 0 O-C-N 120.774 -1.204 . . . . 0.0 114.126 -165.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -113.82 -32.99 5.93 Favored 'General case' 0 C--N 1.357 0.893 0 C-N-CA 125.989 1.716 . . . . 0.0 110.461 -176.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.417 ' HA2' HG23 ' A' ' 100' ' ' ILE . . . 77.99 -112.54 3.51 Favored Glycine 0 C--N 1.386 3.349 0 O-C-N 119.443 -2.036 . . . . 0.0 111.347 -169.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.485 HG22 ' CD1' ' A' ' 92' ' ' TYR . 5.0 p -127.28 107.95 10.44 Favored 'General case' 0 N--CA 1.437 -1.095 1 N-CA-C 99.856 -4.128 . . . . 0.0 99.856 168.916 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.3 ttmt -147.67 148.2 30.79 Favored 'General case' 0 CA--C 1.497 -1.059 0 C-N-CA 125.104 1.362 . . . . 0.0 107.745 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.31 108.35 4.73 Favored 'General case' 0 C--N 1.363 1.174 0 O-C-N 120.437 -1.415 . . . . 0.0 109.342 170.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.3 p -137.89 155.6 30.42 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.613 0 N-CA-C 103.866 -2.642 . . . . 0.0 103.866 -174.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.419 ' CD2' ' O ' ' A' ' 88' ' ' TRP . 63.8 t-80 -86.14 121.31 28.56 Favored 'General case' 0 C--N 1.353 0.748 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 175.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.439 ' HB3' HD21 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -55.96 -28.11 55.58 Favored 'General case' 0 C--N 1.361 1.082 0 N-CA-C 116.178 1.918 . . . . 0.0 116.178 -173.69 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.385 5.2 t-20 -72.47 -27.67 62.44 Favored 'General case' 0 C--N 1.366 1.284 0 O-C-N 120.591 -1.318 . . . . 0.0 112.537 171.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.9 mt -65.92 -42.98 93.03 Favored 'Isoleucine or valine' 0 C--N 1.366 1.321 0 C-N-CA 127.011 2.124 . . . . 0.0 111.255 170.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . 0.531 0.9 OUTLIER -74.46 -29.48 24.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 124.543 1.137 . . . . 0.0 112.906 175.835 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.435 ' CE2' ' CE1' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -65.06 -54.42 30.46 Favored 'General case' 0 C--N 1.382 1.992 0 C-N-CA 127.18 2.192 . . . . 0.0 107.412 169.206 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.444 ' HA ' HG12 ' A' ' 50' ' ' ILE . 76.2 m-20 -59.1 -27.55 65.68 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 117.635 2.457 . . . . 0.0 117.635 175.317 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -71.77 -40.25 69.4 Favored 'General case' 0 C--N 1.364 1.228 0 C-N-CA 126.27 1.828 . . . . 0.0 112.33 171.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . 0.328 0.2 OUTLIER -69.89 -37.97 76.18 Favored 'General case' 0 CA--C 1.55 0.977 1 C-N-CA 131.776 4.03 . . . . 0.0 113.834 172.481 . . . . . . . . 4 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.585 HG23 ' CD2' ' A' ' 55' ' ' HIS . 0.1 OUTLIER -58.75 -39.11 75.81 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.524 1 C-N-CA 131.788 4.035 . . . . 0.0 114.986 -173.007 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 33.9 m -91.2 73.01 6.26 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 121.474 0.654 . . . . 0.0 112.52 175.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 40.8 m-70 -159.65 -158.78 0.68 Allowed 'General case' 0 C--N 1.361 1.076 0 C-N-CA 126.819 2.047 . . . . 0.0 107.012 -178.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.17 -24.83 60.6 Favored 'General case' 0 C--N 1.371 1.533 0 C-N-CA 128.082 2.553 . . . . 0.0 116.496 178.05 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -92.16 11.27 26.11 Favored 'General case' 0 N--CA 1.439 -0.996 1 C-N-CA 133.939 4.895 . . . . 0.0 117.839 -168.474 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.585 ' CD2' HG23 ' A' ' 50' ' ' ILE 0.273 10.8 t-80 -52.17 85.27 0.0 OUTLIER 'General case' 0 C--N 1.364 1.226 0 N-CA-C 119.176 3.028 . . . . 0.0 119.176 -175.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.451 HG23 ' HB3' ' A' ' 60' ' ' ALA . 83.1 mt -114.36 130.66 68.27 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.222 1 C-N-CA 131.714 4.006 . . . . 0.0 103.502 176.269 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.512 ' CE1' HG13 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -110.68 165.87 11.48 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 103.135 -2.913 . . . . 0.0 103.135 169.624 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 42.3 tpp -51.37 -16.21 0.52 Allowed 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 129.612 3.165 . . . . 0.0 117.564 -175.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . 0.271 10.6 m-80 -78.4 -21.85 48.69 Favored 'General case' 0 N--CA 1.415 -2.216 1 C-N-CA 133.672 4.789 . . . . 0.0 112.98 -175.93 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.451 ' HB3' HG23 ' A' ' 56' ' ' ILE . . . -92.19 31.29 1.3 Allowed 'General case' 0 C--N 1.37 1.476 0 C-N-CA 128.301 2.64 . . . . 0.0 116.089 179.551 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.405 HG21 ' CZ3' ' A' ' 63' ' ' TRP 0.354 3.5 t -160.9 -174.8 4.58 Favored 'General case' 0 C--N 1.362 1.118 0 O-C-N 120.667 -1.271 . . . . 0.0 112.42 -170.688 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -93.57 7.07 46.1 Favored 'General case' 0 C--N 1.369 1.434 0 C-N-CA 131.198 3.799 . . . . 0.0 114.711 -172.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.405 ' CZ3' HG21 ' A' ' 61' ' ' THR . 0.9 OUTLIER -109.17 152.65 24.85 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 128.604 2.761 . . . . 0.0 105.099 177.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -117.98 -56.73 2.16 Favored 'General case' 0 C--N 1.358 0.941 0 CA-C-N 120.697 1.59 . . . . 0.0 114.284 -175.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 70.1 p -87.6 -64.84 1.09 Allowed 'General case' 0 C--N 1.356 0.852 0 C-N-CA 126.067 1.747 . . . . 0.0 114.112 -171.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.439 HD21 ' HB3' ' A' ' 42' ' ' ASN 0.25 1.9 tp 173.97 -34.91 0.0 OUTLIER 'General case' 0 CA--C 1.506 -0.728 0 C-N-CA 130.441 3.496 . . . . 0.0 102.37 174.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.645 HG23 ' CZ2' ' A' ' 88' ' ' TRP . 13.5 m -56.42 -44.4 80.32 Favored 'General case' 0 CA--C 1.484 -1.566 1 C-N-CA 133.07 4.548 . . . . 0.0 113.501 -173.783 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.4 -28.89 63.27 Favored 'General case' 0 C--N 1.344 0.352 0 N-CA-C 116.436 2.013 . . . . 0.0 116.436 175.322 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -76.18 -32.85 59.23 Favored 'General case' 0 C--N 1.364 1.236 0 C-N-CA 125.595 1.558 . . . . 0.0 109.961 171.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.485 ' HB ' HG21 ' A' ' 81' ' ' VAL 0.309 0.6 OUTLIER -72.23 -36.21 69.07 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 126.398 1.879 . . . . 0.0 111.066 174.867 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 25.1 mmtt -62.27 -39.09 91.76 Favored 'General case' 0 C--N 1.377 1.798 0 N-CA-C 115.45 1.648 . . . . 0.0 115.45 166.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 91.5 t90 -80.57 -55.0 5.16 Favored 'General case' 0 C--N 1.362 1.142 0 C-N-CA 126.02 1.728 . . . . 0.0 113.89 -179.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.62 -35.28 80.35 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 128.403 2.681 . . . . 0.0 116.221 177.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -62.04 -27.21 68.46 Favored Glycine 0 C--N 1.359 1.844 0 C-N-CA 128.067 2.746 . . . . 0.0 114.795 166.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 31.2 ttp180 -73.99 -27.63 61.07 Favored 'General case' 0 C--N 1.361 1.097 0 N-CA-C 114.948 1.462 . . . . 0.0 114.948 179.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -82.79 -20.71 35.26 Favored 'General case' 0 C--N 1.356 0.85 0 N-CA-C 116.915 2.191 . . . . 0.0 116.915 -169.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.59 20.86 15.9 Favored Glycine 0 C--N 1.363 2.037 0 O-C-N 121.185 -0.947 . . . . 0.0 111.36 -177.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.92 -43.1 4.95 Favored 'General case' 0 CA--C 1.468 -2.182 0 C-N-CA 123.868 0.867 . . . . 0.0 110.55 177.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 92' ' ' TYR . 13.1 m -128.53 147.37 50.69 Favored 'General case' 0 C--O 1.224 -0.271 0 N-CA-C 116.296 1.961 . . . . 0.0 116.296 -176.39 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -103.18 143.39 32.69 Favored 'General case' 0 C--N 1.359 0.98 0 C-N-CA 127.641 2.376 . . . . 0.0 107.754 172.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.485 HG21 ' HB ' ' A' ' 70' ' ' THR . 0.2 OUTLIER -131.28 142.16 44.1 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 O-C-N 119.084 -2.26 . . . . 0.0 112.943 -172.36 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -143.26 151.35 40.46 Favored 'General case' 0 C--N 1.364 1.206 0 C-N-CA 124.958 1.303 . . . . 0.0 110.132 174.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -122.96 139.49 54.01 Favored 'General case' 0 C--N 1.367 1.361 0 O-C-N 120.135 -1.603 . . . . 0.0 110.529 178.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.428 ' HB ' ' CD ' ' A' ' 85' ' ' PRO . 43.5 p -123.26 174.96 3.04 Favored Pre-proline 0 C--N 1.359 1.006 0 C-N-CA 129.262 3.025 . . . . 0.0 109.907 -177.391 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.428 ' CD ' ' HB ' ' A' ' 84' ' ' THR . 22.6 Cg_exo -68.94 -1.62 8.12 Favored 'Trans proline' 0 N--CA 1.442 -1.537 0 N-CA-C 118.176 2.337 . . . . 0.0 118.176 166.075 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 29.4 ttpt -112.78 -5.9 13.87 Favored 'General case' 0 C--N 1.361 1.092 0 CA-C-N 120.189 1.359 . . . . 0.0 112.464 -179.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 149.74 -164.35 29.49 Favored Glycine 0 C--N 1.362 2.012 0 O-C-N 120.635 -1.291 . . . . 0.0 115.126 -178.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.645 ' CZ2' HG23 ' A' ' 67' ' ' THR . 15.2 m95 -101.87 119.4 38.72 Favored 'General case' 0 C--N 1.364 1.236 0 C-N-CA 127.949 2.5 . . . . 0.0 107.52 175.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -114.54 125.8 54.2 Favored 'General case' 0 CA--C 1.501 -0.927 0 N-CA-C 105.471 -2.048 . . . . 0.0 105.471 -178.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -116.2 137.56 49.56 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.935 0 C-N-CA 127.178 2.191 . . . . 0.0 105.907 178.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -122.42 124.98 44.89 Favored 'General case' 0 N--CA 1.429 -1.522 0 N-CA-C 103.054 -2.943 . . . . 0.0 103.054 172.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.485 ' CD1' HG22 ' A' ' 37' ' ' THR 0.511 0.4 OUTLIER -74.23 147.24 42.65 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 125.667 1.587 . . . . 0.0 112.701 -179.781 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 5.4 mt -86.81 119.99 35.58 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.95 1 C-N-CA 133.683 4.793 . . . . 0.0 105.458 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . 0.284 14.0 p30 -76.68 84.88 3.32 Favored 'General case' 0 C--N 1.36 1.036 0 O-C-N 119.872 -1.767 . . . . 0.0 113.85 -178.546 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 -37.82 -86.47 0.0 OUTLIER 'General case' 0 C--N 1.367 1.333 0 C-N-CA 131.526 3.93 . . . . 0.0 115.251 177.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -103.03 106.78 52.56 Favored Pre-proline 0 CA--C 1.533 0.302 0 CA-C-O 112.9 -3.428 . . . . 0.0 105.907 158.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -53.86 -25.92 37.33 Favored 'Trans proline' 0 C--N 1.374 1.905 2 C-N-CA 127.563 5.509 . . . . 0.0 116.838 -178.124 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -54.67 -43.69 72.64 Favored 'General case' 0 C--N 1.362 1.147 0 C-N-CA 129.223 3.009 . . . . 0.0 110.598 166.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -57.99 -44.52 87.22 Favored 'General case' 0 C--N 1.37 1.459 0 O-C-N 119.726 -1.859 . . . . 0.0 113.74 175.16 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.417 HG23 ' HA2' ' A' ' 36' ' ' GLY . 2.7 mp -68.37 -50.13 59.89 Favored 'Isoleucine or valine' 0 C--N 1.361 1.071 0 C-N-CA 128.981 2.912 . . . . 0.0 111.96 174.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -63.87 -35.97 82.41 Favored 'General case' 0 C--N 1.367 1.339 0 O-C-N 120.01 -1.681 . . . . 0.0 113.656 176.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 11.6 mmp_? -73.15 -40.02 65.22 Favored 'General case' 0 C--N 1.367 1.342 0 C-N-CA 125.122 1.369 . . . . 0.0 110.355 170.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . 0.389 28.1 mt-30 -62.28 -35.78 80.06 Favored 'General case' 0 C--N 1.372 1.572 0 N-CA-C 116.228 1.936 . . . . 0.0 116.228 174.243 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 100' ' ' ILE . 0.2 OUTLIER -81.61 -53.01 6.6 Favored 'General case' 0 C--N 1.356 0.85 0 O-C-N 120.511 -1.368 . . . . 0.0 112.241 175.606 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 . . . . . 0 C--N 1.36 1.062 0 N-CA-C 117.819 2.526 . . . . 0.0 117.819 -172.435 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 12.4 tpt . . . . . 0 N--CA 1.48 1.032 0 N-CA-C 116.503 2.038 . . . . 0.0 116.503 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -58.93 -36.07 74.15 Favored 'General case' 0 C--N 1.362 1.144 0 C-N-CA 126.875 2.07 . . . . 0.0 115.01 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -70.07 -52.08 26.77 Favored 'General case' 0 C--N 1.36 1.058 0 C-N-CA 126.563 1.945 . . . . 0.0 113.644 175.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -73.83 -40.52 63.28 Favored 'General case' 0 C--N 1.355 0.847 0 C-N-CA 127.978 2.511 . . . . 0.0 114.112 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . 0.352 79.5 p -72.55 -30.78 64.72 Favored 'General case' 0 C--N 1.37 1.492 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 177.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -70.46 -41.93 72.14 Favored 'General case' 0 C--N 1.366 1.302 0 CA-C-N 120.67 1.577 . . . . 0.0 113.752 170.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -67.9 -45.84 73.3 Favored 'General case' 0 C--N 1.365 1.275 0 CA-C-N 121.482 1.947 . . . . 0.0 113.394 174.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.462 ' CZ ' ' CE2' ' A' ' 46' ' ' TYR . 14.0 t80 -63.91 -52.1 61.45 Favored 'General case' 0 C--N 1.371 1.519 0 C-N-CA 124.814 1.246 . . . . 0.0 112.349 173.63 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.557 ' HE ' HD23 ' A' ' 28' ' ' LEU 0.344 0.0 OUTLIER -69.89 -28.97 66.07 Favored 'General case' 0 C--N 1.363 1.153 0 CA-C-N 121.094 1.77 . . . . 0.0 115.6 175.973 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -67.3 -52.41 40.92 Favored 'General case' 0 C--N 1.375 1.694 0 O-C-N 119.011 -2.306 . . . . 0.0 112.579 171.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -76.23 -50.92 13.18 Favored 'General case' 0 C--N 1.36 1.033 0 N-CA-C 115.567 1.691 . . . . 0.0 115.567 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.41 ' HB3' ' O ' ' A' ' 23' ' ' PHE . 12.4 t80 -62.15 -46.07 90.6 Favored 'General case' 0 C--N 1.369 1.45 0 C-N-CA 126.839 2.055 . . . . 0.0 112.878 176.189 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.557 HD23 ' HE ' ' A' ' 24' ' ' ARG 0.346 0.0 OUTLIER -67.85 -32.73 73.46 Favored 'General case' 0 C--N 1.371 1.53 0 CA-C-N 119.457 1.026 . . . . 0.0 112.4 -179.977 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -65.55 -48.63 71.79 Favored 'General case' 0 C--N 1.385 2.118 0 C-N-CA 125.535 1.534 . . . . 0.0 115.072 168.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 tt -65.34 -34.78 79.14 Favored 'General case' 0 C--N 1.358 0.937 0 C-N-CA 128.918 2.887 . . . . 0.0 113.319 178.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 tt -64.14 -51.91 61.61 Favored 'General case' 0 C--N 1.365 1.252 0 C-N-CA 130.219 3.408 . . . . 0.0 109.41 169.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 33.7 mtm180 -59.31 -46.11 89.46 Favored 'General case' 0 C--N 1.369 1.443 0 C-N-CA 127.09 2.156 . . . . 0.0 116.493 173.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . 0.415 0.8 OUTLIER -73.1 -53.2 11.65 Favored 'General case' 0 C--N 1.365 1.279 0 N-CA-C 121.781 3.993 . . . . 0.0 121.781 169.531 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.4 mtt180 -82.91 -35.07 26.42 Favored 'General case' 0 C--N 1.349 0.563 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 -171.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -107.51 -37.47 6.19 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 125.548 1.539 . . . . 0.0 110.69 -176.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 78.05 -104.35 2.0 Favored Glycine 0 C--N 1.38 3.008 0 CA-C-O 124.293 2.051 . . . . 0.0 110.618 -169.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.7 p -134.85 108.15 7.77 Favored 'General case' 0 N--CA 1.437 -1.09 0 N-CA-C 103.485 -2.783 . . . . 0.0 103.485 171.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -147.42 152.11 37.58 Favored 'General case' 0 CA--C 1.51 -0.591 0 C-N-CA 125.525 1.53 . . . . 0.0 107.815 178.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.12 108.37 11.37 Favored 'General case' 0 C--N 1.363 1.175 0 C-N-CA 125.445 1.498 . . . . 0.0 110.298 172.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.7 p -149.26 152.61 11.82 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.246 0 N-CA-C 105.32 -2.104 . . . . 0.0 105.32 -173.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.446 ' HE1' ' HG ' ' A' ' 66' ' ' LEU . 0.8 OUTLIER -84.0 138.0 33.33 Favored 'General case' 0 C--N 1.367 1.361 0 CA-C-O 123.308 1.528 . . . . 0.0 109.02 177.901 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.627 ' HB2' HD21 ' A' ' 66' ' ' LEU . 0.9 OUTLIER -57.21 -29.49 63.77 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 115.447 1.647 . . . . 0.0 115.447 -179.389 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -67.24 -27.76 67.49 Favored 'General case' 0 C--N 1.367 1.351 0 C-N-CA 128.352 2.661 . . . . 0.0 111.953 176.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.8 mt -75.88 -41.76 39.48 Favored 'Isoleucine or valine' 0 C--N 1.366 1.313 0 C-N-CA 125.967 1.707 . . . . 0.0 110.189 170.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.4 m -73.17 -38.64 55.19 Favored 'Isoleucine or valine' 0 C--N 1.37 1.492 0 C-N-CA 124.771 1.228 . . . . 0.0 113.018 179.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.462 ' CE2' ' CZ ' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -60.02 -51.34 70.05 Favored 'General case' 0 C--N 1.385 2.143 0 C-N-CA 129.305 3.042 . . . . 0.0 110.849 176.329 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -63.1 -26.41 68.82 Favored 'General case' 0 C--N 1.363 1.181 0 C-N-CA 130.005 3.322 . . . . 0.0 113.851 174.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -78.3 -42.07 31.91 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 125.19 1.396 . . . . 0.0 112.119 173.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.489 ' CD1' HG23 ' A' ' 50' ' ' ILE 0.266 0.4 OUTLIER -64.84 -48.13 75.45 Favored 'General case' 0 C--N 1.358 0.97 0 C-N-CA 130.671 3.588 . . . . 0.0 113.205 177.663 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.489 HG23 ' CD1' ' A' ' 49' ' ' TYR . 8.9 pt -80.42 -1.35 4.68 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.773 1 N-CA-C 121.919 4.044 . . . . 0.0 121.919 -175.087 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.5 t -79.86 0.9 29.13 Favored 'General case' 0 CA--C 1.554 1.124 0 C-N-CA 124.027 0.931 . . . . 0.0 112.74 174.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -94.91 -164.97 1.23 Allowed 'General case' 0 CA--C 1.554 1.127 1 C-N-CA 132.282 4.233 . . . . 0.0 106.717 172.168 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.8 -39.75 86.03 Favored 'General case' 0 C--N 1.371 1.515 0 N-CA-C 118.308 2.707 . . . . 0.0 118.308 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -64.0 11.67 0.04 OUTLIER 'General case' 0 CA--C 1.497 -1.074 1 C-N-CA 135.851 5.66 . . . . 0.0 121.58 -169.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.479 ' HD2' ' HB ' ' A' ' 50' ' ' ILE 0.309 32.1 t-80 -46.43 98.87 0.02 OUTLIER 'General case' 0 C--N 1.367 1.358 0 N-CA-C 117.291 2.33 . . . . 0.0 117.291 179.451 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.417 ' O ' HG21 ' A' ' 50' ' ' ILE . 30.9 mt -130.75 157.58 43.08 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.269 2 C-N-CA 133.786 4.835 . . . . 0.0 99.897 -179.349 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.536 ' HB3' HD22 ' A' ' 59' ' ' ASN . 0.1 OUTLIER -134.09 156.85 47.53 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 102.716 -3.068 . . . . 0.0 102.716 166.121 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.51 -13.01 0.19 Allowed 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 130.104 3.362 . . . . 0.0 119.61 -172.416 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.536 HD22 ' HB3' ' A' ' 57' ' ' HIS 0.268 21.9 m-80 -81.1 -25.78 36.73 Favored 'General case' 0 N--CA 1.427 -1.588 1 C-N-CA 134.588 5.155 . . . . 0.0 109.149 -177.955 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -84.92 51.19 2.09 Favored 'General case' 0 C--N 1.382 2.004 0 C-N-CA 127.437 2.295 . . . . 0.0 111.987 168.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 14.3 p -145.85 -169.62 3.28 Favored 'General case' 0 C--N 1.354 0.785 0 O-C-N 120.724 -1.235 . . . . 0.0 109.652 -173.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 24.9 pt20 -97.58 1.16 48.53 Favored 'General case' 0 C--N 1.371 1.524 0 C-N-CA 125.79 1.636 . . . . 0.0 110.908 171.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.402 ' CE3' ' HB2' ' A' ' 69' ' ' PHE . 1.9 m-90 -103.25 110.51 22.52 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 127.956 2.502 . . . . 0.0 108.491 -173.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -73.28 -12.4 60.84 Favored 'General case' 0 C--N 1.367 1.361 0 C-N-CA 126.474 1.91 . . . . 0.0 115.592 -175.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 t -160.6 158.19 28.56 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 102.037 -3.32 . . . . 0.0 102.037 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.627 HD21 ' HB2' ' A' ' 42' ' ' ASN . 8.7 tp -56.18 -30.74 62.65 Favored 'General case' 0 C--N 1.369 1.454 0 C-N-CA 130.68 3.592 . . . . 0.0 115.583 -173.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.532 HG22 ' HZ2' ' A' ' 71' ' ' LYS . 93.3 m -58.75 -40.66 84.52 Favored 'General case' 0 C--N 1.347 0.486 1 C-N-CA 131.728 4.011 . . . . 0.0 114.452 174.759 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -72.87 -27.7 62.07 Favored 'General case' 0 C--N 1.362 1.117 0 C-N-CA 126.434 1.894 . . . . 0.0 115.439 176.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.402 ' HB2' ' CE3' ' A' ' 63' ' ' TRP . 1.5 t80 -72.79 -38.21 67.31 Favored 'General case' 0 C--N 1.359 0.99 0 C-N-CA 128.412 2.685 . . . . 0.0 109.517 173.047 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . 0.319 0.6 OUTLIER -72.17 -34.32 68.36 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 126.488 1.915 . . . . 0.0 113.028 176.825 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.532 ' HZ2' HG22 ' A' ' 67' ' ' THR . 16.2 mmtm -62.88 -41.15 99.3 Favored 'General case' 0 C--N 1.375 1.696 0 C-N-CA 126.171 1.788 . . . . 0.0 114.046 167.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 89.0 t90 -76.69 -48.63 18.31 Favored 'General case' 0 C--N 1.373 1.611 0 C-N-CA 126.742 2.017 . . . . 0.0 112.823 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . 0.526 0.0 OUTLIER -65.62 -34.07 77.37 Favored 'General case' 0 C--N 1.358 0.948 0 C-N-CA 126.786 2.034 . . . . 0.0 115.488 176.651 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.42 ' HA2' ' O ' ' A' ' 79' ' ' CYS . . . -63.63 -28.05 71.94 Favored Glycine 0 C--N 1.367 2.305 0 C-N-CA 128.314 2.864 . . . . 0.0 115.094 163.527 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 36.4 ttt85 -76.74 -36.59 57.0 Favored 'General case' 0 C--N 1.36 1.042 0 C-N-CA 126.103 1.761 . . . . 0.0 113.658 177.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -72.86 -13.4 61.27 Favored 'General case' 0 C--N 1.363 1.162 0 N-CA-C 116.454 2.02 . . . . 0.0 116.454 -174.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 90.21 17.54 52.89 Favored Glycine 0 C--N 1.357 1.74 0 C-N-CA 124.626 1.108 . . . . 0.0 113.851 178.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.543 HD22 HD11 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -106.26 -25.22 12.05 Favored 'General case' 0 CA--C 1.486 -1.492 0 C-N-CA 125.233 1.413 . . . . 0.0 111.678 -179.195 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.42 ' O ' ' HA2' ' A' ' 74' ' ' GLY . 2.7 m -140.27 139.91 35.61 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-N 122.522 2.419 . . . . 0.0 111.986 -179.199 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 83.5 mttt -98.58 115.32 28.37 Favored 'General case' 0 C--N 1.357 0.934 0 O-C-N 120.362 -1.461 . . . . 0.0 109.624 173.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.502 HG22 HG22 ' A' ' 90' ' ' ILE . 0.2 OUTLIER -99.99 151.61 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 O-C-N 118.634 -2.541 . . . . 0.0 113.957 -175.593 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -148.2 154.24 39.85 Favored 'General case' 0 C--N 1.356 0.878 0 CA-C-N 113.25 -1.795 . . . . 0.0 110.703 173.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 77.6 tt0 -119.5 140.26 50.77 Favored 'General case' 0 C--N 1.368 1.38 0 CA-C-O 123.02 1.39 . . . . 0.0 112.629 -177.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.43 ' HB ' ' CD ' ' A' ' 85' ' ' PRO . 72.8 p -119.56 177.42 1.38 Allowed Pre-proline 0 CA--C 1.504 -0.79 0 C-N-CA 130.777 3.631 . . . . 0.0 110.572 -178.449 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.43 ' CD ' ' HB ' ' A' ' 84' ' ' THR . 14.4 Cg_exo -71.53 -4.44 15.02 Favored 'Trans proline' 0 N--CA 1.442 -1.512 0 N-CA-C 117.877 2.222 . . . . 0.0 117.877 165.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 54.0 mttp -116.32 -5.73 11.8 Favored 'General case' 0 C--N 1.363 1.157 0 CA-C-N 120.974 1.715 . . . . 0.0 114.334 -176.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 155.62 -172.38 33.7 Favored Glycine 0 C--N 1.354 1.563 0 O-C-N 120.574 -1.329 . . . . 0.0 113.001 -178.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.501 ' CZ2' HG23 ' A' ' 67' ' ' THR . 6.1 m95 -102.42 110.04 21.87 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 127.885 2.474 . . . . 0.0 109.973 179.24 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -104.58 133.19 49.86 Favored 'General case' 0 C--N 1.362 1.137 0 C-N-CA 126.094 1.758 . . . . 0.0 107.232 -176.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.502 HG22 HG22 ' A' ' 81' ' ' VAL . 3.4 pt -118.85 136.23 56.7 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.603 0 N-CA-C 104.854 -2.276 . . . . 0.0 104.854 -175.58 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -117.4 122.54 44.11 Favored 'General case' 0 CA--C 1.496 -1.12 0 N-CA-C 102.556 -3.128 . . . . 0.0 102.556 169.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . 0.3 86.0 t80 -71.42 147.95 47.39 Favored 'General case' 0 N--CA 1.44 -0.928 0 C-N-CA 127.085 2.154 . . . . 0.0 113.249 -178.111 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 34.8 mm -86.66 116.8 29.88 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.853 0 C-N-CA 131.012 3.725 . . . . 0.0 104.589 175.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . 0.342 46.3 p-10 -79.53 95.53 5.87 Favored 'General case' 0 C--N 1.361 1.087 0 O-C-N 120.538 -1.351 . . . . 0.0 111.657 -179.554 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.432 ' HD3' HD23 ' A' ' 78' ' ' LEU 0.259 23.9 mmm180 -35.86 -93.14 0.0 OUTLIER 'General case' 0 C--N 1.359 0.982 1 C-N-CA 134.54 5.136 . . . . 0.0 114.292 179.088 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -102.29 115.56 64.34 Favored Pre-proline 0 N--CA 1.447 -0.586 0 CA-C-O 114.546 -2.645 . . . . 0.0 104.207 156.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -58.23 -21.6 52.83 Favored 'Trans proline' 0 C--N 1.358 1.034 1 C-N-CA 126.959 5.106 . . . . 0.0 115.782 179.003 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -67.52 -20.22 65.41 Favored 'General case' 0 C--N 1.365 1.274 0 C-N-CA 127.951 2.5 . . . . 0.0 111.142 167.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.446 HG22 HD12 ' A' ' 100' ' ' ILE 0.258 0.4 OUTLIER -76.54 -53.03 8.63 Favored 'General case' 0 C--N 1.368 1.397 0 C-N-CA 125.733 1.613 . . . . 0.0 109.135 167.603 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.446 HD12 HG22 ' A' ' 99' ' ' THR . 1.7 mp -57.84 -51.17 73.79 Favored 'Isoleucine or valine' 0 C--N 1.382 2.013 0 C-N-CA 129.216 3.006 . . . . 0.0 112.578 177.527 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 26.2 mmt85 -72.99 -21.5 60.83 Favored 'General case' 0 C--N 1.358 0.978 0 O-C-N 119.375 -2.078 . . . . 0.0 113.566 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -82.0 -37.83 25.98 Favored 'General case' 0 C--N 1.369 1.452 0 C-N-CA 124.773 1.229 . . . . 0.0 109.099 171.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . 0.441 37.9 mt-30 -60.37 -46.54 89.59 Favored 'General case' 0 C--N 1.37 1.473 0 C-N-CA 129.071 2.948 . . . . 0.0 113.636 172.101 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 100' ' ' ILE 0.254 0.0 OUTLIER -82.22 -50.8 8.58 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 115.901 1.815 . . . . 0.0 115.901 174.89 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 . . . . . 0 C--N 1.362 1.152 0 N-CA-C 117.881 2.548 . . . . 0.0 117.881 -171.38 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.7 tmt? . . . . . 0 CA--C 1.501 -0.936 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -63.0 -32.55 73.94 Favored 'General case' 0 C--N 1.365 1.245 0 C-N-CA 127.193 2.197 . . . . 0.0 114.385 177.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -69.87 -52.65 23.02 Favored 'General case' 0 C--N 1.366 1.319 0 C-N-CA 127.089 2.156 . . . . 0.0 113.453 176.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 -73.73 -34.0 64.59 Favored 'General case' 0 C--N 1.356 0.865 0 C-N-CA 129.044 2.938 . . . . 0.0 113.323 178.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . 0.321 5.9 m -70.72 -29.42 65.69 Favored 'General case' 0 C--N 1.365 1.257 0 C-N-CA 126.004 1.721 . . . . 0.0 113.98 173.144 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -65.2 -40.18 93.83 Favored 'General case' 0 C--N 1.369 1.456 0 O-C-N 120.714 -1.241 . . . . 0.0 113.169 172.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -74.97 -49.96 18.26 Favored 'General case' 0 C--N 1.364 1.23 0 C-N-CA 125.849 1.66 . . . . 0.0 112.761 171.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.448 ' CZ ' ' CZ ' ' A' ' 46' ' ' TYR . 12.9 t80 -66.55 -52.8 41.74 Favored 'General case' 0 C--N 1.371 1.543 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 -178.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.446 HH11 ' HG ' ' A' ' 28' ' ' LEU 0.386 0.0 OUTLIER -66.03 -38.69 89.04 Favored 'General case' 0 C--N 1.359 1.0 0 O-C-N 120.153 -1.592 . . . . 0.0 115.208 178.791 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -70.91 -51.16 27.78 Favored 'General case' 0 C--N 1.358 0.953 0 O-C-N 119.455 -2.028 . . . . 0.0 115.525 173.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -74.41 -39.55 62.57 Favored 'General case' 0 C--N 1.37 1.457 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 -178.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -66.98 -44.87 79.33 Favored 'General case' 0 C--N 1.373 1.619 0 C-N-CA 126.023 1.729 . . . . 0.0 111.269 176.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.446 ' HG ' HH11 ' A' ' 24' ' ' ARG . 16.7 mt -66.81 -35.68 80.61 Favored 'General case' 0 C--N 1.379 1.85 0 CA-C-N 119.983 1.265 . . . . 0.0 112.811 172.133 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -60.4 -54.1 49.63 Favored 'General case' 0 C--N 1.366 1.309 0 N-CA-C 115.439 1.644 . . . . 0.0 115.439 172.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.411 HD11 ' HB2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -70.34 -34.81 73.09 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 125.886 1.674 . . . . 0.0 114.764 178.195 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.6 -53.82 52.87 Favored 'General case' 0 C--N 1.373 1.616 0 C-N-CA 127.266 2.226 . . . . 0.0 110.864 170.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.3 mtm180 -63.45 -38.44 91.14 Favored 'General case' 0 C--N 1.365 1.24 0 N-CA-C 114.984 1.475 . . . . 0.0 114.984 -176.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.481 ' HA ' ' HB3' ' A' ' 103' ' ' GLN 0.27 2.6 ptt180 -71.68 -51.44 23.01 Favored 'General case' 0 C--N 1.374 1.665 0 N-CA-C 116.947 2.203 . . . . 0.0 116.947 165.005 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 -79.71 -28.73 40.57 Favored 'General case' 0 C--N 1.358 0.967 0 N-CA-C 114.516 1.302 . . . . 0.0 114.516 -167.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -117.55 -31.25 5.27 Favored 'General case' 0 C--N 1.359 1.005 0 C-N-CA 125.034 1.334 . . . . 0.0 112.243 -175.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 75.36 -116.85 5.08 Favored Glycine 0 C--N 1.378 2.912 0 C-N-CA 125.595 1.569 . . . . 0.0 113.696 -174.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.452 HG21 ' HB3' ' A' ' 94' ' ' ASP . 6.0 p -124.88 108.11 11.58 Favored 'General case' 0 N--CA 1.441 -0.903 0 N-CA-C 100.693 -3.817 . . . . 0.0 100.693 169.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -157.82 142.44 16.36 Favored 'General case' 0 CA--C 1.493 -1.247 0 N-CA-C 104.308 -2.478 . . . . 0.0 104.308 -175.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.85 107.88 4.22 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-O 123.114 1.435 . . . . 0.0 112.068 175.197 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.7 p -141.46 145.79 24.19 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.071 0 O-C-N 120.082 -1.636 . . . . 0.0 106.877 -176.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.406 ' HE1' ' OD1' ' A' ' 43' ' ' ASN . 48.5 t-80 -68.45 135.81 52.26 Favored 'General case' 0 N--CA 1.444 -0.731 0 C-N-CA 127.917 2.487 . . . . 0.0 112.662 -179.434 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -65.8 -29.64 70.15 Favored 'General case' 0 C--N 1.361 1.078 0 N-CA-C 116.819 2.155 . . . . 0.0 116.819 -175.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.406 ' OD1' ' HE1' ' A' ' 41' ' ' HIS . 7.3 m120 -66.8 -27.02 67.23 Favored 'General case' 0 C--N 1.361 1.075 0 C-N-CA 125.408 1.483 . . . . 0.0 113.138 171.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.439 ' HA ' ' ND2' ' A' ' 47' ' ' ASN . 12.3 mt -76.3 -43.53 36.67 Favored 'Isoleucine or valine' 0 C--N 1.372 1.577 0 C-N-CA 128.61 2.764 . . . . 0.0 112.384 174.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.4 m -70.12 -37.29 71.51 Favored 'Isoleucine or valine' 0 C--N 1.367 1.329 0 O-C-N 121.014 -1.054 . . . . 0.0 109.23 171.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.448 ' CZ ' ' CZ ' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -65.32 -51.98 57.01 Favored 'General case' 0 C--N 1.391 2.396 0 C-N-CA 126.256 1.822 . . . . 0.0 111.663 175.601 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.439 ' ND2' ' HA ' ' A' ' 44' ' ' ILE . 15.9 p30 -59.21 -28.03 66.28 Favored 'General case' 0 C--N 1.369 1.453 0 CA-C-N 121.821 2.101 . . . . 0.0 115.636 175.236 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -75.71 -43.84 45.06 Favored 'General case' 0 C--N 1.367 1.349 0 CA-C-N 114.149 -1.387 . . . . 0.0 111.473 177.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.772 ' CE1' HG23 ' A' ' 50' ' ' ILE . 22.2 t80 -64.31 -53.25 51.82 Favored 'General case' 0 C--N 1.357 0.929 0 C-N-CA 131.519 3.928 . . . . 0.0 114.722 176.056 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.772 HG23 ' CE1' ' A' ' 49' ' ' TYR 0.432 1.1 pt -82.09 -3.88 7.4 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.16 0 N-CA-C 121.304 3.816 . . . . 0.0 121.304 -177.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 24.4 t -87.78 57.11 4.19 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.754 1.622 . . . . 0.0 107.085 169.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -154.56 -166.68 2.39 Favored 'General case' 0 N--CA 1.447 -0.618 1 C-N-CA 131.894 4.078 . . . . 0.0 101.729 -173.553 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.2 ppt_? -65.09 -30.63 71.6 Favored 'General case' 0 C--N 1.362 1.132 0 N-CA-C 117.224 2.305 . . . . 0.0 117.224 175.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -81.57 10.53 5.8 Favored 'General case' 0 CA--C 1.5 -0.953 0 N-CA-C 120.181 3.4 . . . . 0.0 120.181 -164.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.541 ' HD2' ' HB ' ' A' ' 50' ' ' ILE 0.48 13.6 t-80 -29.74 71.16 0.0 OUTLIER 'General case' 0 C--N 1.367 1.328 1 N-CA-C 122.697 4.332 . . . . 0.0 122.697 -174.861 . . . . . . . . 4 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.551 ' H ' HG21 ' A' ' 50' ' ' ILE . 38.2 mt -101.76 131.02 50.51 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.219 1 C-N-CA 132.293 4.237 . . . . 0.0 105.596 173.911 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.538 ' HB3' HD22 ' A' ' 59' ' ' ASN . 0.1 OUTLIER -114.16 160.16 19.28 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 103.326 -2.842 . . . . 0.0 103.326 170.018 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.93 -17.98 1.18 Allowed 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 119.553 3.168 . . . . 0.0 119.553 -171.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.538 HD22 ' HB3' ' A' ' 57' ' ' HIS 0.309 16.1 m-80 -78.35 -20.67 50.84 Favored 'General case' 0 N--CA 1.424 -1.73 1 C-N-CA 135.921 5.688 . . . . 0.0 109.678 -177.738 . . . . . . . . 4 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.451 ' HB3' HG23 ' A' ' 56' ' ' ILE . . . -89.45 49.26 1.72 Allowed 'General case' 0 C--N 1.385 2.113 0 C-N-CA 128.949 2.9 . . . . 0.0 110.994 168.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 8.3 p -149.81 -173.54 4.45 Favored 'General case' 0 C--N 1.361 1.083 0 C-N-CA 127.119 2.167 . . . . 0.0 109.975 -175.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -88.54 -19.89 25.79 Favored 'General case' 0 C--N 1.37 1.469 0 C-N-CA 129.662 3.185 . . . . 0.0 112.266 174.355 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 1.7 m-90 -85.17 107.61 17.32 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 128.529 2.732 . . . . 0.0 111.678 -176.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.405 ' HG3' HG23 ' A' ' 65' ' ' THR . 14.3 pt-20 -72.5 -10.0 59.25 Favored 'General case' 0 C--N 1.361 1.089 0 N-CA-C 117.076 2.251 . . . . 0.0 117.076 178.589 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.405 HG23 ' HG3' ' A' ' 64' ' ' GLU . 40.4 p -147.65 153.97 40.03 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 127.659 2.383 . . . . 0.0 104.647 -175.079 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.444 ' O ' HD23 ' A' ' 66' ' ' LEU . 1.2 tt -75.29 -3.24 32.21 Favored 'General case' 0 C--N 1.373 1.608 0 O-C-N 119.386 -2.071 . . . . 0.0 113.855 177.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.668 HG23 ' CZ2' ' A' ' 88' ' ' TRP . 33.0 m -80.54 -37.08 32.15 Favored 'General case' 0 C--N 1.358 0.973 0 C-N-CA 131.015 3.726 . . . . 0.0 107.643 175.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -72.79 -29.74 63.53 Favored 'General case' 0 C--N 1.361 1.087 0 N-CA-C 116.034 1.864 . . . . 0.0 116.034 174.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -72.48 -38.02 68.3 Favored 'General case' 0 C--N 1.363 1.177 0 C-N-CA 126.423 1.889 . . . . 0.0 110.346 171.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.607 ' HB ' HG21 ' A' ' 81' ' ' VAL 0.258 2.0 p -72.67 -35.21 67.64 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 124.796 1.238 . . . . 0.0 112.072 175.509 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.8 mmtp -62.38 -36.32 81.92 Favored 'General case' 0 C--N 1.378 1.837 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 169.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 87.2 t90 -78.29 -49.13 14.24 Favored 'General case' 0 C--N 1.37 1.478 0 C-N-CA 126.481 1.912 . . . . 0.0 112.742 177.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . 0.677 0.0 OUTLIER -65.28 -32.91 74.81 Favored 'General case' 0 C--N 1.361 1.091 0 O-C-N 119.157 -2.214 . . . . 0.0 115.637 177.852 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -60.41 -28.76 67.79 Favored Glycine 0 C--N 1.369 2.374 0 CA-C-N 112.306 -2.224 . . . . 0.0 116.101 160.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -83.5 -39.12 20.88 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 127.215 2.206 . . . . 0.0 114.668 177.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.438 ' CB ' ' CD1' ' A' ' 78' ' ' LEU . 49.7 mm-40 -66.96 -20.16 65.84 Favored 'General case' 0 C--N 1.359 1.0 0 C-N-CA 129.815 3.246 . . . . 0.0 113.504 177.07 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 91.35 15.6 55.09 Favored Glycine 0 C--N 1.359 1.833 0 CA-C-O 122.783 1.213 . . . . 0.0 111.412 165.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.438 ' CD1' ' CB ' ' A' ' 76' ' ' GLU . 3.1 mp -95.36 -31.73 13.28 Favored 'General case' 0 CA--C 1.48 -1.712 0 C-N-CA 125.112 1.365 . . . . 0.0 111.4 -177.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 92' ' ' TYR . 2.4 m -140.7 146.18 37.47 Favored 'General case' 0 CA--C 1.508 -0.648 0 O-C-N 119.448 -2.032 . . . . 0.0 114.44 -177.5 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 59.6 mttt -99.07 143.53 29.25 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 129.087 2.955 . . . . 0.0 107.266 175.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.607 HG21 ' HB ' ' A' ' 70' ' ' THR . 0.1 OUTLIER -132.25 144.41 37.1 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.696 0 O-C-N 119.429 -2.044 . . . . 0.0 112.176 -170.641 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -142.81 150.65 40.23 Favored 'General case' 0 C--N 1.359 1.003 0 CA-C-N 113.983 -1.462 . . . . 0.0 110.272 173.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -121.48 138.33 54.33 Favored 'General case' 0 C--N 1.365 1.257 0 O-C-N 120.537 -1.352 . . . . 0.0 109.672 178.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 46.4 p -124.99 175.73 2.84 Favored Pre-proline 0 C--N 1.361 1.093 0 C-N-CA 127.27 2.228 . . . . 0.0 111.172 -175.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -64.99 -6.48 12.91 Favored 'Trans proline' 0 CA--C 1.559 1.742 0 C-N-CA 123.173 2.582 . . . . 0.0 117.272 163.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -119.88 25.92 9.64 Favored 'General case' 0 C--N 1.364 1.198 0 C-N-CA 127.5 2.32 . . . . 0.0 111.844 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 115.59 -168.08 12.55 Favored Glycine 0 C--N 1.366 2.242 0 N-CA-C 118.687 2.235 . . . . 0.0 118.687 174.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.668 ' CZ2' HG23 ' A' ' 67' ' ' THR . 18.2 m95 -97.67 110.09 22.72 Favored 'General case' 0 C--N 1.368 1.404 0 C-N-CA 129.809 3.243 . . . . 0.0 108.793 177.389 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -108.89 132.25 54.23 Favored 'General case' 0 C--N 1.363 1.188 0 C-N-CA 127.866 2.466 . . . . 0.0 107.14 -178.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.578 HG22 HG22 ' A' ' 81' ' ' VAL . 2.3 pt -122.92 137.66 55.64 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.973 0 C-N-CA 126.241 1.816 . . . . 0.0 107.35 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -123.31 125.55 45.24 Favored 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 103.534 -2.765 . . . . 0.0 103.534 171.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.416 ' HA ' ' HA ' ' A' ' 79' ' ' CYS 0.273 49.3 t80 -63.11 147.49 50.67 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 127.953 2.501 . . . . 0.0 114.118 178.076 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.2 mt -94.25 106.41 18.06 Favored 'Isoleucine or valine' 0 C--N 1.354 0.768 0 N-CA-C 100.363 -3.94 . . . . 0.0 100.363 177.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.452 ' HB3' HG21 ' A' ' 37' ' ' THR 0.286 2.1 p30 -49.7 -27.11 4.36 Favored 'General case' 0 C--N 1.36 1.057 1 N-CA-C 122.389 4.218 . . . . 0.0 122.389 -167.847 . . . . . . . . 4 3 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . 0.321 6.3 mtp180 74.71 -92.45 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 128.208 2.603 . . . . 0.0 108.443 -179.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -102.45 119.25 56.72 Favored Pre-proline 0 N--CA 1.451 -0.387 0 N-CA-C 104.746 -2.316 . . . . 0.0 104.746 159.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -74.13 -8.6 21.21 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 125.239 3.959 . . . . 0.0 113.439 -177.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -70.81 -28.47 64.66 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 127.841 2.456 . . . . 0.0 109.672 168.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -68.51 -38.7 81.16 Favored 'General case' 0 C--N 1.372 1.55 0 O-C-N 120.223 -1.548 . . . . 0.0 111.621 174.487 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 45.7 mm -73.62 -50.76 28.11 Favored 'Isoleucine or valine' 0 C--N 1.365 1.275 0 C-N-CA 130.175 3.39 . . . . 0.0 110.168 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 85.4 mtm180 -66.34 -34.77 78.72 Favored 'General case' 0 C--N 1.364 1.223 0 O-C-N 119.992 -1.693 . . . . 0.0 113.697 175.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.83 -25.56 56.38 Favored 'General case' 0 C--N 1.372 1.545 0 C-N-CA 125.079 1.352 . . . . 0.0 111.171 173.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.481 ' HB3' ' HA ' ' A' ' 33' ' ' ARG 0.266 8.5 mt-30 -72.23 -41.05 67.27 Favored 'General case' 0 C--N 1.364 1.202 0 C-N-CA 124.684 1.194 . . . . 0.0 114.142 173.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.83 -53.89 6.63 Favored 'General case' 0 C--N 1.355 0.844 0 O-C-N 120.974 -1.079 . . . . 0.0 112.927 177.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 . . . . . 0 C--N 1.362 1.13 0 N-CA-C 118.946 2.943 . . . . 0.0 118.946 -174.36 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.6 tmt? . . . . . 0 N--CA 1.478 0.959 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -65.11 -47.66 76.39 Favored 'General case' 0 C--N 1.365 1.24 0 O-C-N 119.429 -2.045 . . . . 0.0 113.952 172.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -70.39 -52.81 19.69 Favored 'General case' 0 C--N 1.364 1.215 0 C-N-CA 127.232 2.213 . . . . 0.0 114.646 175.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.8 m-30 -74.05 -44.5 54.06 Favored 'General case' 0 C--N 1.364 1.2 0 C-N-CA 127.184 2.194 . . . . 0.0 115.018 -178.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . 0.387 7.0 t -66.62 -29.17 69.15 Favored 'General case' 0 C--N 1.373 1.62 0 N-CA-C 114.918 1.451 . . . . 0.0 114.918 175.112 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -69.5 -48.35 60.88 Favored 'General case' 0 C--N 1.365 1.259 0 CA-C-N 121.709 2.05 . . . . 0.0 112.46 175.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -65.37 -45.9 82.25 Favored 'General case' 0 C--N 1.368 1.389 0 C-N-CA 125.999 1.719 . . . . 0.0 112.251 174.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.444 ' CE1' ' CE2' ' A' ' 46' ' ' TYR . 11.6 t80 -59.51 -50.95 71.95 Favored 'General case' 0 C--N 1.381 1.935 0 C-N-CA 125.258 1.423 . . . . 0.0 112.852 172.511 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.457 ' HE ' ' CD2' ' A' ' 28' ' ' LEU 0.387 0.0 OUTLIER -69.22 -34.22 74.52 Favored 'General case' 0 C--N 1.357 0.933 0 N-CA-C 116.274 1.953 . . . . 0.0 116.274 178.477 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -71.13 -51.49 24.66 Favored 'General case' 0 C--N 1.357 0.924 0 O-C-N 120.279 -1.513 . . . . 0.0 114.538 172.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -76.79 -38.33 54.18 Favored 'General case' 0 C--N 1.365 1.272 0 N-CA-C 115.044 1.498 . . . . 0.0 115.044 178.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -70.84 -38.73 73.22 Favored 'General case' 0 C--N 1.373 1.619 0 C-N-CA 126.098 1.759 . . . . 0.0 110.63 175.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.457 ' CD2' ' HE ' ' A' ' 24' ' ' ARG . 0.1 OUTLIER -66.41 -37.88 86.21 Favored 'General case' 0 C--N 1.383 2.023 0 CA-C-N 121.065 1.757 . . . . 0.0 111.548 172.534 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -60.64 -53.79 53.18 Favored 'General case' 0 C--N 1.359 0.999 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 171.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.488 HD21 ' HG2' ' A' ' 48' ' ' GLU . 5.5 tp -57.27 -43.2 82.87 Favored 'General case' 0 C--N 1.365 1.264 0 C-N-CA 128.274 2.63 . . . . 0.0 114.002 175.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 tt -64.31 -45.91 85.88 Favored 'General case' 0 C--N 1.368 1.375 0 C-N-CA 129.608 3.163 . . . . 0.0 112.668 174.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 56.6 mtm180 -74.33 -45.46 47.13 Favored 'General case' 0 C--N 1.357 0.919 0 N-CA-C 115.297 1.591 . . . . 0.0 115.297 178.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.4 ptt180 -70.94 -48.22 54.68 Favored 'General case' 0 CA--C 1.48 -1.724 0 N-CA-C 117.527 2.417 . . . . 0.0 117.527 175.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.4 mtt180 -83.2 -31.07 27.28 Favored 'General case' 0 N--CA 1.435 -1.204 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 -175.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -111.97 -27.7 8.32 Favored 'General case' 0 C--N 1.362 1.141 0 CA-C-O 117.82 -1.086 . . . . 0.0 113.441 -174.201 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.34 -108.23 2.41 Favored Glycine 0 C--N 1.397 3.934 0 CA-C-N 123.156 2.707 . . . . 0.0 113.029 -175.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.8 p -135.1 108.28 7.72 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 100.475 -3.898 . . . . 0.0 100.475 168.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -141.16 139.95 33.98 Favored 'General case' 0 CA--C 1.505 -0.782 0 C-N-CA 125.178 1.391 . . . . 0.0 109.616 -177.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.08 110.78 5.96 Favored 'General case' 0 C--N 1.371 1.503 0 O-C-N 120.428 -1.42 . . . . 0.0 109.563 168.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.5 p -147.17 156.2 10.69 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.439 0 O-C-N 119.296 -2.127 . . . . 0.0 106.946 -166.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.408 ' CD2' ' O ' ' A' ' 88' ' ' TRP . 64.5 t-80 -85.75 119.8 26.48 Favored 'General case' 0 C--N 1.367 1.355 0 CA-C-O 123.155 1.455 . . . . 0.0 108.752 176.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -52.31 -32.82 39.66 Favored 'General case' 0 C--N 1.349 0.561 0 C-N-CA 130.186 3.394 . . . . 0.0 116.216 -178.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.291 3.5 t-20 -71.42 -28.11 63.76 Favored 'General case' 0 C--N 1.363 1.166 0 O-C-N 120.394 -1.441 . . . . 0.0 111.489 176.259 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.3 mt -66.29 -40.98 88.21 Favored 'Isoleucine or valine' 0 C--N 1.376 1.723 0 C-N-CA 128.22 2.608 . . . . 0.0 109.944 170.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.2 m -73.3 -39.53 55.85 Favored 'Isoleucine or valine' 0 C--N 1.359 0.982 0 C-N-CA 125.128 1.371 . . . . 0.0 112.239 178.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.444 ' CE2' ' CE1' ' A' ' 23' ' ' PHE . 0.4 OUTLIER -65.21 -50.98 63.77 Favored 'General case' 0 C--N 1.376 1.731 0 C-N-CA 129.837 3.255 . . . . 0.0 110.256 176.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -61.74 -31.95 72.16 Favored 'General case' 0 C--N 1.373 1.591 0 C-N-CA 127.126 2.171 . . . . 0.0 113.522 172.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.488 ' HG2' HD21 ' A' ' 30' ' ' LEU . 18.9 tt0 -69.24 -44.02 72.83 Favored 'General case' 0 C--N 1.365 1.256 0 C-N-CA 124.189 0.995 . . . . 0.0 113.206 171.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.499 ' CE2' HG23 ' A' ' 50' ' ' ILE 0.362 0.1 OUTLIER -68.05 -52.05 39.73 Favored 'General case' 0 C--N 1.362 1.13 0 C-N-CA 128.144 2.577 . . . . 0.0 113.41 175.075 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.499 HG23 ' CE2' ' A' ' 49' ' ' TYR . 0.5 OUTLIER -71.86 -18.63 19.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 N-CA-C 118.23 2.678 . . . . 0.0 118.23 -179.534 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 65.9 m -66.0 0.48 1.87 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 126.444 1.898 . . . . 0.0 115.384 175.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 57.7 m-70 -91.23 -137.65 0.15 Allowed 'General case' 0 C--N 1.358 0.953 0 C-N-CA 129.766 3.226 . . . . 0.0 107.218 172.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.34 -37.03 53.21 Favored 'General case' 0 C--N 1.357 0.925 0 N-CA-C 117.129 2.27 . . . . 0.0 117.129 177.112 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -78.43 11.74 2.31 Favored 'General case' 0 CA--C 1.502 -0.894 1 N-CA-C 123.727 4.714 . . . . 0.0 123.727 -160.019 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . 0.37 5.7 t-160 -28.94 48.09 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.311 1 N-CA-C 126.125 5.602 . . . . 0.0 126.125 -172.018 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.461 HG23 ' HB3' ' A' ' 60' ' ' ALA . 7.3 mt -88.11 93.82 4.4 Favored 'Isoleucine or valine' 0 C--N 1.367 1.329 0 C-N-CA 131.454 3.902 . . . . 0.0 104.7 169.047 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.497 ' HD2' ' H ' ' A' ' 58' ' ' MET . 1.9 t-160 -92.24 -176.01 4.22 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 125.667 1.587 . . . . 0.0 107.642 -179.267 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.497 ' H ' ' HD2' ' A' ' 57' ' ' HIS . 2.0 ttm -56.85 -12.51 1.98 Allowed 'General case' 0 CA--C 1.549 0.937 0 O-C-N 118.239 -2.788 . . . . 0.0 113.942 170.351 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -85.72 -9.44 57.15 Favored 'General case' 0 CA--C 1.574 1.899 1 C-N-CA 134.056 4.942 . . . . 0.0 112.445 174.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.461 ' HB3' HG23 ' A' ' 56' ' ' ILE . . . -124.57 55.57 1.32 Allowed 'General case' 0 C--N 1.371 1.53 0 C-N-CA 126.895 2.078 . . . . 0.0 110.734 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 9.7 t -179.86 175.99 0.79 Allowed 'General case' 0 C--N 1.363 1.188 0 O-C-N 120.513 -1.367 . . . . 0.0 108.587 -173.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -83.36 -10.9 58.18 Favored 'General case' 0 C--N 1.366 1.295 0 C-N-CA 127.573 2.349 . . . . 0.0 115.746 -173.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -103.01 97.4 7.51 Favored 'General case' 0 N--CA 1.441 -0.911 0 C-N-CA 128.155 2.582 . . . . 0.0 107.612 -177.223 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -75.67 -42.84 50.17 Favored 'General case' 0 C--N 1.361 1.073 0 C-N-CA 127.396 2.279 . . . . 0.0 112.411 -177.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -110.33 142.41 42.0 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 103.322 -2.844 . . . . 0.0 103.322 179.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.9 tp -52.76 -31.87 40.44 Favored 'General case' 0 C--N 1.378 1.825 0 C-N-CA 128.562 2.745 . . . . 0.0 114.675 -174.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.573 HG23 ' CZ2' ' A' ' 88' ' ' TRP . 29.3 m -56.35 -44.31 79.97 Favored 'General case' 0 CA--C 1.497 -1.088 1 C-N-CA 134.273 5.029 . . . . 0.0 110.66 -179.305 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.93 -27.09 62.58 Favored 'General case' 0 C--N 1.36 1.061 0 N-CA-C 117.393 2.368 . . . . 0.0 117.393 173.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.505 ' CZ ' HD22 ' A' ' 73' ' ' LEU . 26.8 t80 -72.45 -37.88 68.42 Favored 'General case' 0 C--N 1.365 1.273 0 C-N-CA 125.497 1.519 . . . . 0.0 110.164 171.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.5 ' HB ' HG21 ' A' ' 81' ' ' VAL . 1.0 OUTLIER -71.22 -36.84 72.01 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 126.72 2.008 . . . . 0.0 112.222 176.092 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.3 mmtt -62.09 -38.16 87.82 Favored 'General case' 0 C--N 1.383 2.054 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 168.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 79.9 t90 -80.71 -56.53 4.08 Favored 'General case' 0 C--N 1.364 1.221 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 178.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.505 HD22 ' CZ ' ' A' ' 69' ' ' PHE . 0.2 OUTLIER -65.13 -35.36 80.88 Favored 'General case' 0 C--N 1.364 1.224 0 N-CA-C 116.865 2.172 . . . . 0.0 116.865 -178.285 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -59.66 -27.58 64.08 Favored Glycine 0 C--N 1.361 1.932 0 C-N-CA 127.675 2.559 . . . . 0.0 114.704 170.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -83.6 -18.78 37.05 Favored 'General case' 0 CA--C 1.506 -0.737 0 N-CA-C 116.387 1.995 . . . . 0.0 116.387 -177.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -85.01 -18.54 34.11 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 124.776 1.23 . . . . 0.0 112.751 -175.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 90.51 24.92 27.13 Favored Glycine 0 C--N 1.37 2.445 0 C-N-CA 120.429 -0.891 . . . . 0.0 111.222 -176.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -104.59 -36.1 7.61 Favored 'General case' 0 CA--C 1.48 -1.743 0 C-N-CA 123.852 0.861 . . . . 0.0 109.724 174.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 92' ' ' TYR . 22.6 m -134.27 151.08 51.08 Favored 'General case' 0 C--O 1.222 -0.382 0 N-CA-C 116.793 2.146 . . . . 0.0 116.793 -179.036 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -104.12 143.74 32.5 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 127.475 2.31 . . . . 0.0 107.183 171.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.5 HG21 ' HB ' ' A' ' 70' ' ' THR . 0.1 OUTLIER -129.05 142.34 44.29 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.599 0 O-C-N 118.833 -2.417 . . . . 0.0 112.009 -175.3 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -139.89 150.95 45.21 Favored 'General case' 0 C--N 1.364 1.233 0 C-N-CA 125.699 1.6 . . . . 0.0 109.257 176.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -123.4 139.65 53.82 Favored 'General case' 0 C--N 1.369 1.429 0 O-C-N 120.507 -1.371 . . . . 0.0 112.301 -179.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.451 ' HB ' ' CD ' ' A' ' 85' ' ' PRO . 71.4 p -121.03 176.68 1.77 Allowed Pre-proline 0 C--N 1.358 0.97 0 C-N-CA 131.156 3.782 . . . . 0.0 109.375 -178.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.451 ' CD ' ' HB ' ' A' ' 84' ' ' THR . 16.9 Cg_exo -70.61 -1.49 9.26 Favored 'Trans proline' 0 N--CA 1.443 -1.49 0 N-CA-C 117.797 2.191 . . . . 0.0 117.797 165.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -111.02 -6.54 14.63 Favored 'General case' 0 C--N 1.361 1.1 0 CA-C-N 120.4 1.455 . . . . 0.0 114.163 -176.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 150.91 -164.64 30.03 Favored Glycine 0 C--N 1.359 1.813 0 O-C-N 120.631 -1.293 . . . . 0.0 112.943 -172.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.573 ' CZ2' HG23 ' A' ' 67' ' ' THR . 20.5 m95 -105.59 131.42 53.0 Favored 'General case' 0 C--N 1.359 0.985 0 CA-C-O 124.265 1.984 . . . . 0.0 107.417 171.16 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -116.2 125.7 52.63 Favored 'General case' 0 CA--C 1.5 -0.953 0 N-CA-C 103.34 -2.837 . . . . 0.0 103.34 -179.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -115.64 138.35 46.32 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.836 0 C-N-CA 126.527 1.931 . . . . 0.0 106.105 -179.414 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -121.17 120.37 35.05 Favored 'General case' 0 CA--C 1.49 -1.342 0 N-CA-C 102.587 -3.116 . . . . 0.0 102.587 171.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.462 ' HA ' ' HA ' ' A' ' 79' ' ' CYS 0.495 0.2 OUTLIER -73.84 147.31 43.43 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.945 1.698 . . . . 0.0 112.337 179.399 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . 0.272 2.3 mm -86.33 120.31 35.86 Favored 'Isoleucine or valine' 0 C--N 1.355 0.81 1 C-N-CA 134.083 4.953 . . . . 0.0 104.496 -176.828 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . 0.401 1.1 p30 -83.84 85.38 7.31 Favored 'General case' 0 C--N 1.366 1.313 0 CA-C-N 122.935 2.607 . . . . 0.0 111.545 179.015 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -27.07 -100.82 0.0 OUTLIER 'General case' 0 C--N 1.354 0.79 1 C-N-CA 134.961 5.305 . . . . 0.0 115.627 175.13 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -102.56 121.47 49.65 Favored Pre-proline 0 C--N 1.35 0.6 0 CA-C-O 113.857 -2.973 . . . . 0.0 105.405 163.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_exo -55.33 -25.34 47.08 Favored 'Trans proline' 0 C--N 1.358 1.07 2 C-N-CA 126.992 5.128 . . . . 0.0 117.017 -176.533 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -54.04 -44.63 71.17 Favored 'General case' 0 C--N 1.364 1.236 0 C-N-CA 129.193 2.997 . . . . 0.0 110.771 167.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -57.3 -47.19 82.14 Favored 'General case' 0 C--N 1.369 1.421 0 C-N-CA 126.756 2.023 . . . . 0.0 114.142 175.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.8 mp -66.78 -50.02 69.24 Favored 'Isoleucine or valine' 0 C--N 1.365 1.252 1 C-N-CA 131.822 4.049 . . . . 0.0 110.784 175.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 75.4 mtm-85 -69.05 -34.66 75.53 Favored 'General case' 0 C--N 1.361 1.071 0 O-C-N 119.241 -2.162 . . . . 0.0 113.237 177.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 -66.18 -33.47 75.85 Favored 'General case' 0 C--N 1.376 1.753 0 C-N-CA 126.089 1.756 . . . . 0.0 111.27 168.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . 0.319 1.0 OUTLIER -63.71 -59.55 4.44 Favored 'General case' 0 C--N 1.359 0.995 0 N-CA-C 115.999 1.851 . . . . 0.0 115.999 168.311 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.3 -38.88 75.07 Favored 'General case' 0 C--N 1.345 0.387 0 N-CA-C 115.548 1.684 . . . . 0.0 115.548 -176.097 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 . . . . . 0 C--N 1.362 1.128 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 -178.971 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.435 ' HE2' ' CZ2' ' A' ' 63' ' ' TRP . 1.8 tmt? . . . . . 0 N--CA 1.474 0.757 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -62.36 -44.25 96.9 Favored 'General case' 0 C--N 1.363 1.182 0 O-C-N 120.234 -1.541 . . . . 0.0 112.602 170.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -70.31 -53.41 16.9 Favored 'General case' 0 C--N 1.362 1.125 0 C-N-CA 126.795 2.038 . . . . 0.0 115.454 173.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.277 28.7 m-85 -74.79 -39.73 61.56 Favored 'General case' 0 C--N 1.369 1.455 0 C-N-CA 126.839 2.056 . . . . 0.0 115.679 179.375 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . 0.304 1.4 t -66.87 -30.11 70.18 Favored 'General case' 0 C--N 1.375 1.681 0 C-N-CA 125.128 1.371 . . . . 0.0 112.407 175.435 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -69.9 -35.22 74.44 Favored 'General case' 0 C--N 1.37 1.478 0 C-N-CA 124.714 1.206 . . . . 0.0 113.947 170.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -75.71 -49.92 16.86 Favored 'General case' 0 C--N 1.37 1.476 0 CA-C-N 120.284 1.402 . . . . 0.0 112.753 171.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.463 ' CE2' ' CE1' ' A' ' 46' ' ' TYR . 23.3 t80 -60.58 -52.37 65.46 Favored 'General case' 0 C--N 1.375 1.707 0 C-N-CA 128.041 2.536 . . . . 0.0 112.876 179.27 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.554 HH11 ' HG ' ' A' ' 28' ' ' LEU 0.431 0.0 OUTLIER -70.49 -28.88 65.33 Favored 'General case' 0 C--N 1.358 0.952 0 N-CA-C 115.587 1.699 . . . . 0.0 115.587 -178.748 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -71.31 -52.31 19.5 Favored 'General case' 0 C--N 1.363 1.156 0 N-CA-C 115.148 1.536 . . . . 0.0 115.148 171.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -76.55 -39.06 53.92 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 124.769 1.227 . . . . 0.0 112.879 -179.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -70.8 -42.38 70.39 Favored 'General case' 0 C--N 1.365 1.271 0 CA-C-O 116.348 -1.787 . . . . 0.0 112.146 174.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.649 HD11 HD13 ' A' ' 78' ' ' LEU . 14.6 mt -66.3 -38.81 88.6 Favored 'General case' 0 C--N 1.386 2.16 0 CA-C-N 123.31 2.777 . . . . 0.0 111.929 173.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -61.13 -51.74 67.8 Favored 'General case' 0 C--N 1.368 1.401 0 N-CA-C 114.629 1.344 . . . . 0.0 114.629 173.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.512 ' O ' ' HB2' ' A' ' 34' ' ' ARG . 4.4 tt -60.1 -42.61 95.04 Favored 'General case' 0 C--N 1.357 0.895 0 C-N-CA 128.281 2.633 . . . . 0.0 113.641 174.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.456 HD11 ' HB2' ' A' ' 92' ' ' TYR . 2.3 tt -59.13 -50.23 74.83 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 127.293 2.237 . . . . 0.0 113.336 170.444 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -64.95 -38.46 91.06 Favored 'General case' 0 C--N 1.365 1.275 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 175.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.572 ' HA ' ' HB3' ' A' ' 103' ' ' GLN 0.261 8.5 ptt-85 -73.72 -52.99 11.4 Favored 'General case' 0 CA--C 1.466 -2.262 0 CA-C-N 122.855 2.57 . . . . 0.0 115.46 170.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.512 ' HB2' ' O ' ' A' ' 30' ' ' LEU . 4.4 mmt85 -83.4 -30.91 26.99 Favored 'General case' 0 N--CA 1.425 -1.676 0 CA-C-N 112.797 -2.002 . . . . 0.0 115.164 -161.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -114.36 -23.15 9.53 Favored 'General case' 0 C--N 1.362 1.126 0 C-N-CA 124.05 0.94 . . . . 0.0 111.936 -174.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.91 -103.51 2.12 Favored Glycine 0 C--N 1.384 3.207 0 O-C-N 119.428 -2.045 . . . . 0.0 111.749 -177.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.7 p -147.81 108.72 4.22 Favored 'General case' 0 N--CA 1.444 -0.764 1 N-CA-C 98.407 -4.664 . . . . 0.0 98.407 165.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.1 ttmm -145.67 143.42 29.79 Favored 'General case' 0 CA--C 1.504 -0.799 0 C-N-CA 124.914 1.285 . . . . 0.0 108.784 -176.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.9 107.64 4.13 Favored 'General case' 0 CA--C 1.567 1.606 0 C-N-CA 125.07 1.348 . . . . 0.0 110.369 175.372 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.5 p -151.49 154.98 7.48 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.303 0 O-C-N 118.995 -2.316 . . . . 0.0 105.924 -170.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.614 ' HE2' ' H ' ' A' ' 88' ' ' TRP . 7.9 t-80 -76.45 139.75 40.99 Favored 'General case' 0 C--N 1.358 0.96 0 CA-C-N 120.148 1.34 . . . . 0.0 110.106 178.19 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.523 ' HB2' HD21 ' A' ' 66' ' ' LEU . 2.0 m120 -59.05 -29.64 67.46 Favored 'General case' 0 C--N 1.371 1.542 0 O-C-N 120.19 -1.569 . . . . 0.0 114.128 172.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.371 3.0 t-20 -64.88 -29.13 70.07 Favored 'General case' 0 C--N 1.369 1.456 0 N-CA-C 115.513 1.672 . . . . 0.0 115.513 176.141 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.421 ' HA ' ' ND2' ' A' ' 47' ' ' ASN . 4.9 mt -76.58 -37.17 29.16 Favored 'Isoleucine or valine' 0 C--N 1.369 1.43 0 C-N-CA 127.705 2.402 . . . . 0.0 111.265 171.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.8 m -73.43 -36.62 48.91 Favored 'Isoleucine or valine' 0 C--N 1.362 1.122 0 O-C-N 121.002 -1.061 . . . . 0.0 110.164 174.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.463 ' CE1' ' CE2' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -64.53 -52.9 55.4 Favored 'General case' 0 C--N 1.387 2.21 0 C-N-CA 129.308 3.043 . . . . 0.0 110.016 175.471 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.421 ' ND2' ' HA ' ' A' ' 44' ' ' ILE . 4.3 p30 -62.04 -27.28 68.78 Favored 'General case' 0 C--N 1.376 1.726 0 C-N-CA 127.315 2.246 . . . . 0.0 113.884 175.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -76.35 -45.61 31.22 Favored 'General case' 0 C--N 1.367 1.331 0 C-N-CA 124.957 1.303 . . . . 0.0 111.524 174.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.529 ' CE2' HG23 ' A' ' 50' ' ' ILE . 1.4 t80 -61.35 -47.88 83.87 Favored 'General case' 0 C--N 1.358 0.97 0 C-N-CA 130.777 3.631 . . . . 0.0 114.265 175.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.529 HG23 ' CE2' ' A' ' 49' ' ' TYR . 6.0 pt -80.24 -5.13 7.99 Favored 'Isoleucine or valine' 0 C--N 1.354 0.792 0 N-CA-C 120.525 3.528 . . . . 0.0 120.525 -174.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.5 t -79.04 6.64 8.94 Favored 'General case' 0 CA--C 1.556 1.179 0 CA-C-N 119.36 0.982 . . . . 0.0 112.241 172.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -90.9 -154.35 0.35 Allowed 'General case' 0 CA--C 1.559 1.324 0 C-N-CA 131.574 3.95 . . . . 0.0 106.824 172.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.51 -42.43 64.82 Favored 'General case' 0 C--N 1.363 1.157 0 O-C-N 117.75 -3.094 . . . . 0.0 116.757 -179.538 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -62.08 12.45 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.108 1 C-N-CA 137.592 6.357 . . . . 0.0 121.287 -172.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.489 ' HD2' ' HB ' ' A' ' 50' ' ' ILE 0.293 6.0 t-160 -38.88 59.31 0.0 OUTLIER 'General case' 0 C--N 1.36 1.063 1 N-CA-C 122.294 4.183 . . . . 0.0 122.294 -173.182 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.57 HG23 ' HB3' ' A' ' 60' ' ' ALA . 59.9 mt -96.97 111.58 27.2 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.865 1 C-N-CA 134.942 5.297 . . . . 0.0 107.778 178.361 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 19.9 t60 -94.98 -177.18 4.07 Favored 'General case' 0 C--N 1.347 0.48 0 CA-C-N 122.759 2.527 . . . . 0.0 109.799 177.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.499 ' HE3' HD12 ' A' ' 66' ' ' LEU . 2.7 tpp -53.49 -22.76 8.65 Favored 'General case' 0 N--CA 1.494 1.774 0 CA-C-O 125.039 2.352 . . . . 0.0 114.468 175.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -84.65 -8.97 58.68 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 129.574 3.15 . . . . 0.0 112.546 179.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.57 ' HB3' HG23 ' A' ' 56' ' ' ILE . . . -99.59 37.46 1.59 Allowed 'General case' 0 C--N 1.368 1.373 0 C-N-CA 127.019 2.127 . . . . 0.0 111.666 173.309 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . 0.303 2.7 t -162.98 163.63 26.03 Favored 'General case' 0 C--N 1.361 1.089 0 C-N-CA 125.543 1.537 . . . . 0.0 108.086 -175.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -75.52 0.18 18.15 Favored 'General case' 0 C--N 1.379 1.882 0 C-N-CA 129.052 2.941 . . . . 0.0 117.714 -172.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.435 ' CZ2' ' HE2' ' A' ' 16' ' ' MET . 3.3 m-90 -96.46 118.5 33.11 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 127.069 2.148 . . . . 0.0 105.88 178.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.403 ' H ' ' HG2' ' A' ' 64' ' ' GLU . 10.1 pt-20 -87.11 -8.89 56.56 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 120.859 1.663 . . . . 0.0 114.345 -178.476 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 27.6 p -134.23 153.88 51.59 Favored 'General case' 0 C--N 1.347 0.46 0 N-CA-C 105.365 -2.087 . . . . 0.0 105.365 -176.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.523 HD21 ' HB2' ' A' ' 42' ' ' ASN . 10.4 tp -65.37 -32.9 74.78 Favored 'General case' 0 C--N 1.372 1.544 0 C-N-CA 127.093 2.157 . . . . 0.0 112.094 179.291 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.48 HG23 ' CE2' ' A' ' 88' ' ' TRP . 52.6 m -57.32 -46.66 83.01 Favored 'General case' 0 C--N 1.358 0.938 1 C-N-CA 135.562 5.545 . . . . 0.0 113.858 175.472 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -72.0 -26.76 62.35 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 126.186 1.795 . . . . 0.0 115.414 178.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -70.48 -38.41 74.39 Favored 'General case' 0 C--N 1.356 0.856 0 C-N-CA 127.998 2.519 . . . . 0.0 110.206 170.421 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.607 ' HB ' HG21 ' A' ' 81' ' ' VAL . 0.7 OUTLIER -71.34 -34.08 70.19 Favored 'General case' 0 C--N 1.356 0.881 0 C-N-CA 126.483 1.913 . . . . 0.0 111.893 173.712 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 49.6 mmtt -64.38 -34.11 77.4 Favored 'General case' 0 C--N 1.377 1.761 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 169.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 85.0 t90 -80.79 -56.94 3.8 Favored 'General case' 0 C--N 1.366 1.304 0 C-N-CA 124.883 1.273 . . . . 0.0 113.488 175.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . 0.426 0.0 OUTLIER -64.55 -34.5 78.4 Favored 'General case' 0 C--N 1.365 1.248 0 C-N-CA 127.495 2.318 . . . . 0.0 116.947 -175.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -56.84 -27.83 56.67 Favored Glycine 0 C--N 1.362 1.974 0 C-N-CA 128.346 2.879 . . . . 0.0 115.175 166.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 70.6 mtp85 -83.66 -18.82 36.76 Favored 'General case' 0 C--N 1.364 1.21 0 N-CA-C 115.733 1.753 . . . . 0.0 115.733 178.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -85.91 -9.56 56.71 Favored 'General case' 0 C--N 1.354 0.766 0 C-N-CA 124.963 1.305 . . . . 0.0 114.367 -175.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.55 25.32 28.27 Favored Glycine 0 C--N 1.364 2.105 0 C-N-CA 123.471 0.558 . . . . 0.0 112.487 -179.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.649 HD13 HD11 ' A' ' 28' ' ' LEU . 0.3 OUTLIER -116.19 -5.18 11.87 Favored 'General case' 0 CA--C 1.5 -0.943 0 CA-C-O 124.066 1.889 . . . . 0.0 110.186 -179.362 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.752 ' SG ' HG23 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -154.53 145.97 23.06 Favored 'General case' 0 CA--C 1.473 -1.996 0 O-C-N 119.254 -2.154 . . . . 0.0 114.654 -178.229 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -115.13 142.68 46.33 Favored 'General case' 0 N--CA 1.424 -1.737 0 N-CA-C 104.563 -2.384 . . . . 0.0 104.563 166.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.752 HG23 ' SG ' ' A' ' 79' ' ' CYS . 0.2 OUTLIER -132.89 150.12 32.61 Favored 'Isoleucine or valine' 0 C--N 1.356 0.876 0 O-C-N 118.895 -2.378 . . . . 0.0 112.546 -170.289 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -148.61 154.47 39.76 Favored 'General case' 0 C--N 1.365 1.276 0 C-N-CA 124.623 1.169 . . . . 0.0 111.498 174.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -117.23 139.59 50.6 Favored 'General case' 0 C--N 1.367 1.339 0 O-C-N 119.886 -1.759 . . . . 0.0 110.672 178.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.445 ' HB ' ' CD ' ' A' ' 85' ' ' PRO . 43.1 p -118.08 176.36 1.67 Allowed Pre-proline 0 C--N 1.359 1.005 0 C-N-CA 129.399 3.08 . . . . 0.0 110.06 -179.647 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.445 ' CD ' ' HB ' ' A' ' 84' ' ' THR . 21.6 Cg_exo -68.81 -1.53 7.85 Favored 'Trans proline' 0 N--CA 1.44 -1.656 0 N-CA-C 118.349 2.403 . . . . 0.0 118.349 166.238 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -115.96 -6.38 12.0 Favored 'General case' 0 C--N 1.362 1.122 0 CA-C-N 120.936 1.698 . . . . 0.0 112.938 -179.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 155.91 -165.23 32.58 Favored Glycine 0 C--N 1.363 2.048 0 O-C-N 120.0 -1.688 . . . . 0.0 115.35 -177.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.614 ' H ' ' HE2' ' A' ' 41' ' ' HIS . 4.8 m95 -105.25 111.18 23.83 Favored 'General case' 0 C--N 1.363 1.187 0 C-N-CA 128.313 2.645 . . . . 0.0 110.777 176.451 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -107.33 140.08 40.8 Favored 'General case' 0 CA--C 1.499 -0.987 0 C-N-CA 127.562 2.345 . . . . 0.0 108.051 -174.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.5 pt -123.91 153.46 29.95 Favored 'Isoleucine or valine' 0 CA--C 1.476 -1.876 0 C-N-CA 127.041 2.137 . . . . 0.0 106.496 178.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -135.14 120.54 19.14 Favored 'General case' 0 N--CA 1.417 -2.079 1 N-CA-C 98.174 -4.75 . . . . 0.0 98.174 171.675 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.456 ' HB2' HD11 ' A' ' 31' ' ' LEU 0.54 0.1 OUTLIER -71.72 147.79 47.04 Favored 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 125.523 1.529 . . . . 0.0 111.263 -178.332 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.5 mt -86.72 115.58 27.88 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.325 0 C-N-CA 126.701 2.0 . . . . 0.0 108.275 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . 0.323 5.7 p-10 -73.57 59.61 0.63 Allowed 'General case' 0 C--N 1.372 1.574 0 N-CA-C 116.935 2.198 . . . . 0.0 116.935 -174.527 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.573 ' HE ' ' HA ' ' A' ' 95' ' ' ARG 0.296 1.2 mmp_? 3.87 -96.2 0.0 OUTLIER 'General case' 0 C--N 1.353 0.759 1 C-N-CA 133.879 4.872 . . . . 0.0 117.738 171.444 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -102.84 113.3 65.99 Favored Pre-proline 0 C--N 1.351 0.633 0 CA-C-O 113.555 -3.117 . . . . 0.0 103.333 158.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -56.37 -24.14 50.3 Favored 'Trans proline' 0 C--N 1.357 0.976 2 C-N-CA 127.034 5.156 . . . . 0.0 116.939 -170.363 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -64.74 -29.35 70.33 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 125.29 1.436 . . . . 0.0 113.424 169.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -64.74 -43.07 94.55 Favored 'General case' 0 C--N 1.365 1.246 0 O-C-N 119.052 -2.28 . . . . 0.0 110.374 173.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.401 HD12 ' H ' ' A' ' 100' ' ' ILE . 4.8 mp -72.14 -50.55 35.98 Favored 'Isoleucine or valine' 0 C--N 1.358 0.935 0 C-N-CA 130.129 3.372 . . . . 0.0 112.662 177.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 23.0 mmm180 -71.8 -27.19 62.77 Favored 'General case' 0 C--N 1.363 1.183 0 O-C-N 119.543 -1.973 . . . . 0.0 114.741 178.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.9 -34.59 44.58 Favored 'General case' 0 C--N 1.372 1.56 0 O-C-N 120.463 -1.398 . . . . 0.0 108.822 172.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.572 ' HB3' ' HA ' ' A' ' 33' ' ' ARG . 31.3 mt-30 -63.4 -34.29 77.42 Favored 'General case' 0 C--N 1.378 1.818 0 N-CA-C 115.289 1.589 . . . . 0.0 115.289 175.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.88 -53.84 5.83 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 124.554 1.142 . . . . 0.0 112.746 174.522 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 . . . . . 0 C--N 1.364 1.236 0 N-CA-C 119.612 3.19 . . . . 0.0 119.612 -173.137 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.1 tmt? . . . . . 0 N--CA 1.481 1.08 0 N-CA-C 113.85 1.056 . . . . 0.0 113.85 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -64.92 -49.83 68.88 Favored 'General case' 0 C--N 1.361 1.09 0 O-C-N 120.39 -1.444 . . . . 0.0 113.014 174.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -70.55 -52.15 23.66 Favored 'General case' 0 C--N 1.363 1.165 0 C-N-CA 126.996 2.118 . . . . 0.0 115.5 172.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.271 21.2 m-85 -73.59 -34.48 65.11 Favored 'General case' 0 C--N 1.371 1.502 0 O-C-N 121.033 -1.042 . . . . 0.0 113.195 -177.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . 0.311 1.7 t -71.15 -30.04 65.96 Favored 'General case' 0 C--N 1.374 1.634 0 O-C-N 120.683 -1.26 . . . . 0.0 111.847 170.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.433 ' O ' ' HB2' ' A' ' 25' ' ' ASN . 87.5 tt0 -69.98 -49.56 50.35 Favored 'General case' 0 C--N 1.372 1.569 0 CA-C-N 120.225 1.375 . . . . 0.0 113.026 170.399 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -72.33 -32.53 66.61 Favored 'General case' 0 C--N 1.371 1.529 0 CA-C-N 120.973 1.715 . . . . 0.0 114.619 177.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -73.09 -53.59 10.68 Favored 'General case' 0 C--N 1.374 1.644 0 O-C-N 120.394 -1.441 . . . . 0.0 111.305 170.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.345 0.0 OUTLIER -70.53 -31.24 68.22 Favored 'General case' 0 C--N 1.365 1.27 0 N-CA-C 116.139 1.903 . . . . 0.0 116.139 -178.633 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.433 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 3.0 m-80 -71.0 -50.98 28.23 Favored 'General case' 0 C--N 1.371 1.533 0 CA-C-N 121.481 1.946 . . . . 0.0 114.199 172.364 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -76.08 -35.9 59.19 Favored 'General case' 0 C--N 1.367 1.344 0 N-CA-C 114.074 1.139 . . . . 0.0 114.074 -178.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -68.29 -38.27 81.49 Favored 'General case' 0 C--N 1.374 1.644 0 C-N-CA 125.939 1.696 . . . . 0.0 111.158 174.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.08 -43.03 83.65 Favored 'General case' 0 C--N 1.382 2.021 0 C-N-CA 125.499 1.52 . . . . 0.0 109.109 172.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.08 -52.42 63.26 Favored 'General case' 0 C--N 1.356 0.871 0 N-CA-C 115.468 1.655 . . . . 0.0 115.468 172.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . 0.45 0.0 OUTLIER -72.54 -34.38 67.49 Favored 'General case' 0 C--N 1.374 1.663 0 N-CA-C 116.386 1.995 . . . . 0.0 116.386 173.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 tt -58.92 -51.06 71.67 Favored 'General case' 0 C--N 1.369 1.451 0 C-N-CA 128.914 2.886 . . . . 0.0 111.256 171.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.4 mtp180 -64.35 -45.77 86.36 Favored 'General case' 0 C--N 1.363 1.169 0 C-N-CA 127.828 2.451 . . . . 0.0 114.417 174.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . 0.38 2.0 ptp180 -72.46 -51.99 17.78 Favored 'General case' 0 C--N 1.375 1.704 0 N-CA-C 121.359 3.837 . . . . 0.0 121.359 170.016 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -83.2 -31.43 27.09 Favored 'General case' 0 C--N 1.349 0.562 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 -170.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -113.07 -33.77 5.92 Favored 'General case' 0 C--N 1.354 0.793 0 C-N-CA 125.234 1.414 . . . . 0.0 112.032 -174.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.72 -116.13 4.56 Favored Glycine 0 C--N 1.388 3.439 0 O-C-N 119.856 -1.777 . . . . 0.0 111.709 -167.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.4 p -126.43 108.51 11.26 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 101.083 -3.673 . . . . 0.0 101.083 170.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.6 ttmt -150.13 150.36 31.55 Favored 'General case' 0 CA--C 1.512 -0.511 0 C-N-CA 124.594 1.157 . . . . 0.0 108.756 179.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.29 107.76 5.07 Favored 'General case' 0 C--N 1.363 1.16 0 C-N-CA 126.345 1.858 . . . . 0.0 110.931 174.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.5 p -151.26 154.81 7.83 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.352 0 N-CA-C 104.966 -2.235 . . . . 0.0 104.966 -171.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -85.24 134.74 34.13 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 126.471 1.908 . . . . 0.0 111.19 -177.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.463 ' HB2' HD21 ' A' ' 66' ' ' LEU 0.291 0.6 OUTLIER -57.65 -32.62 67.46 Favored 'General case' 0 C--N 1.379 1.85 0 N-CA-C 115.721 1.748 . . . . 0.0 115.721 -178.538 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.564 ' O ' ' HB3' ' A' ' 47' ' ' ASN 0.267 10.3 m120 -63.0 -27.71 69.6 Favored 'General case' 0 C--N 1.371 1.516 0 CA-C-O 116.125 -1.893 . . . . 0.0 112.594 168.689 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.1 mt -76.74 -37.28 28.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 CA-C-N 124.634 3.379 . . . . 0.0 112.885 171.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.2 m -73.85 -40.38 53.13 Favored 'Isoleucine or valine' 0 C--N 1.361 1.071 0 C-N-CA 124.225 1.01 . . . . 0.0 111.744 174.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.98 -52.92 57.37 Favored 'General case' 0 C--N 1.394 2.525 0 C-N-CA 129.226 3.011 . . . . 0.0 107.442 173.018 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.564 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 0.1 OUTLIER -60.03 -26.79 66.38 Favored 'General case' 0 C--N 1.362 1.14 0 CA-C-N 121.675 2.034 . . . . 0.0 116.46 175.766 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -77.35 -50.07 13.57 Favored 'General case' 0 C--N 1.363 1.157 0 C-N-CA 124.175 0.99 . . . . 0.0 110.795 174.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -56.69 -40.05 74.89 Favored 'General case' 0 C--N 1.366 1.316 1 C-N-CA 132.222 4.209 . . . . 0.0 112.671 175.565 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.502 HG23 ' CD2' ' A' ' 55' ' ' HIS . 1.0 OUTLIER -58.05 -28.33 33.81 Favored 'Isoleucine or valine' 0 C--N 1.354 0.797 0 C-N-CA 131.087 3.755 . . . . 0.0 113.646 -175.532 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 94.7 p -81.76 -3.74 54.57 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 117.388 2.366 . . . . 0.0 117.388 -176.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -96.99 -141.83 0.29 Allowed 'General case' 0 C--N 1.363 1.18 0 C-N-CA 127.186 2.194 . . . . 0.0 111.847 -176.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.39 -43.11 42.04 Favored 'General case' 0 C--N 1.375 1.684 0 O-C-N 118.91 -2.369 . . . . 0.0 113.914 179.511 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -64.01 12.01 0.04 OUTLIER 'General case' 0 N--CA 1.44 -0.955 1 C-N-CA 139.461 7.104 . . . . 0.0 118.527 -174.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.502 ' CD2' HG23 ' A' ' 50' ' ' ILE . 6.5 t-160 -54.73 72.8 0.0 OUTLIER 'General case' 0 C--N 1.361 1.071 0 C-N-CA 129.376 3.07 . . . . 0.0 117.929 -175.099 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.452 HG23 ' HB3' ' A' ' 60' ' ' ALA . 68.7 mt -103.17 141.19 19.51 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.084 1 C-N-CA 132.763 4.425 . . . . 0.0 105.016 176.906 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.475 ' CG ' HD22 ' A' ' 59' ' ' ASN . 3.5 t-160 -107.84 161.21 15.11 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 106.565 -1.642 . . . . 0.0 106.565 170.381 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -51.52 -25.36 6.49 Favored 'General case' 0 N--CA 1.49 1.555 1 C-N-CA 132.584 4.353 . . . . 0.0 116.436 -177.066 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.475 HD22 ' CG ' ' A' ' 57' ' ' HIS 0.316 13.0 m-80 -80.21 -20.52 44.49 Favored 'General case' 0 N--CA 1.427 -1.579 1 C-N-CA 134.679 5.191 . . . . 0.0 110.674 -174.602 . . . . . . . . 4 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.452 ' HB3' HG23 ' A' ' 56' ' ' ILE . . . -94.72 46.97 1.15 Allowed 'General case' 0 C--N 1.383 2.063 0 C-N-CA 128.026 2.53 . . . . 0.0 111.552 169.486 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.5 p -146.04 172.03 13.99 Favored 'General case' 0 C--N 1.353 0.738 0 N-CA-C 104.655 -2.35 . . . . 0.0 104.655 -176.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -92.14 1.72 57.03 Favored 'General case' 0 C--N 1.374 1.663 0 CA-C-O 124.472 2.082 . . . . 0.0 112.466 178.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 2.5 m-90 -94.27 108.59 20.47 Favored 'General case' 0 N--CA 1.439 -1.003 0 C-N-CA 127.969 2.508 . . . . 0.0 106.464 176.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -74.22 -12.58 60.61 Favored 'General case' 0 C--N 1.357 0.905 0 N-CA-C 115.694 1.739 . . . . 0.0 115.694 -177.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 38.8 p -138.85 155.9 47.75 Favored 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 104.477 -2.416 . . . . 0.0 104.477 -179.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.463 HD21 ' HB2' ' A' ' 42' ' ' ASN . 5.9 tp -64.98 -29.02 69.91 Favored 'General case' 0 C--N 1.368 1.373 0 C-N-CA 128.127 2.571 . . . . 0.0 112.62 176.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.551 HG23 ' CZ2' ' A' ' 88' ' ' TRP . 41.4 m -59.63 -43.72 93.74 Favored 'General case' 0 C--N 1.36 1.04 1 C-N-CA 135.773 5.629 . . . . 0.0 111.751 177.502 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.97 -26.35 62.22 Favored 'General case' 0 C--N 1.357 0.914 0 C-N-CA 126.83 2.052 . . . . 0.0 115.682 176.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -74.62 -37.63 62.76 Favored 'General case' 0 C--N 1.358 0.962 0 C-N-CA 127.385 2.274 . . . . 0.0 109.4 173.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.597 ' HB ' HG21 ' A' ' 81' ' ' VAL . 1.6 p -71.58 -34.45 69.93 Favored 'General case' 0 C--N 1.355 0.826 0 C-N-CA 126.959 2.103 . . . . 0.0 110.76 172.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.1 mmtt -62.9 -37.16 85.83 Favored 'General case' 0 C--N 1.375 1.691 0 N-CA-C 116.084 1.883 . . . . 0.0 116.084 167.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 90.7 t90 -80.83 -49.46 11.05 Favored 'General case' 0 C--N 1.368 1.403 0 C-N-CA 127.331 2.252 . . . . 0.0 113.948 178.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . 0.303 5.2 tp -65.39 -33.97 77.21 Favored 'General case' 0 C--N 1.351 0.668 0 C-N-CA 129.32 3.048 . . . . 0.0 113.084 178.4 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.417 ' HA2' ' O ' ' A' ' 79' ' ' CYS . . . -61.77 -30.9 76.29 Favored Glycine 0 C--N 1.375 2.705 0 C-N-CA 128.184 2.802 . . . . 0.0 115.978 160.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -84.02 -45.14 13.41 Favored 'General case' 0 C--N 1.36 1.05 0 C-N-CA 127.046 2.138 . . . . 0.0 115.367 177.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -68.08 -19.41 64.86 Favored 'General case' 0 C--N 1.364 1.209 0 C-N-CA 127.869 2.468 . . . . 0.0 113.823 -178.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.41 25.8 29.7 Favored Glycine 0 C--N 1.359 1.819 0 CA-C-N 115.909 -0.587 . . . . 0.0 114.019 176.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.9 mt -97.34 -37.98 9.82 Favored 'General case' 0 C--N 1.365 1.281 0 CA-C-N 118.745 1.273 . . . . 0.0 110.042 173.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.467 ' HA ' ' HA ' ' A' ' 92' ' ' TYR . 25.8 m -133.84 149.79 51.38 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 121.362 1.892 . . . . 0.0 115.301 178.448 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -106.93 117.17 33.35 Favored 'General case' 0 C--N 1.366 1.305 0 C-N-CA 125.082 1.353 . . . . 0.0 111.64 175.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.598 HG22 HG22 ' A' ' 90' ' ' ILE . 0.6 OUTLIER -99.78 154.09 4.33 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.82 0 N-CA-C 117.727 2.491 . . . . 0.0 117.727 -172.122 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -147.89 150.42 34.06 Favored 'General case' 0 C--N 1.355 0.83 0 CA-C-N 111.659 -2.519 . . . . 0.0 110.336 174.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 70.4 tt0 -117.96 139.05 51.71 Favored 'General case' 0 C--N 1.368 1.386 0 O-C-N 120.21 -1.556 . . . . 0.0 109.754 175.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.419 ' HB ' ' CD ' ' A' ' 85' ' ' PRO . 60.2 p -121.31 175.53 2.39 Favored Pre-proline 0 CA--C 1.499 -0.994 0 C-N-CA 130.323 3.449 . . . . 0.0 111.047 -174.527 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.419 ' CD ' ' HB ' ' A' ' 84' ' ' THR . 23.8 Cg_exo -66.97 -8.39 21.52 Favored 'Trans proline' 0 N--CA 1.443 -1.446 0 N-CA-C 118.308 2.388 . . . . 0.0 118.308 166.315 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -109.41 -6.32 15.5 Favored 'General case' 0 C--N 1.363 1.162 0 CA-C-N 120.325 1.42 . . . . 0.0 112.75 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 143.3 -164.84 27.21 Favored Glycine 0 C--N 1.36 1.876 0 CA-C-O 122.405 1.003 . . . . 0.0 115.311 -177.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.551 ' CZ2' HG23 ' A' ' 67' ' ' THR . 26.4 m95 -95.52 112.08 23.86 Favored 'General case' 0 C--N 1.366 1.304 0 C-N-CA 131.566 3.946 . . . . 0.0 110.896 179.286 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -116.84 138.2 51.68 Favored 'General case' 0 C--N 1.36 1.024 0 C-N-CA 125.421 1.489 . . . . 0.0 107.303 -178.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.598 HG22 HG22 ' A' ' 81' ' ' VAL . 4.8 pt -120.28 136.87 55.95 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.359 0 C-N-CA 128.86 2.864 . . . . 0.0 105.619 -178.107 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . 0.283 15.9 pt20 -121.91 114.33 20.86 Favored 'General case' 0 N--CA 1.436 -1.152 0 N-CA-C 103.285 -2.857 . . . . 0.0 103.285 171.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.467 ' HA ' ' HA ' ' A' ' 79' ' ' CYS 0.492 24.8 t80 -58.92 147.8 32.72 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 129.034 2.934 . . . . 0.0 114.557 -175.593 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.1 mt -90.44 111.69 23.8 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.585 1 C-N-CA 132.022 4.129 . . . . 0.0 104.28 178.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . 0.305 3.7 p-10 -74.99 95.92 3.09 Favored 'General case' 0 C--N 1.367 1.358 0 CA-C-O 122.644 1.212 . . . . 0.0 113.573 -176.583 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . 0.291 3.7 mmp_? -51.06 -91.86 0.0 OUTLIER 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 131.256 3.822 . . . . 0.0 115.62 -178.073 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -102.24 111.27 64.25 Favored Pre-proline 0 N--CA 1.448 -0.556 0 CA-C-O 115.357 -2.258 . . . . 0.0 105.831 163.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -59.63 -26.38 81.92 Favored 'Trans proline' 0 C--N 1.355 0.869 1 C-N-CA 126.529 4.819 . . . . 0.0 115.433 -178.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -67.33 -23.52 65.63 Favored 'General case' 0 C--N 1.361 1.103 0 C-N-CA 127.034 2.133 . . . . 0.0 111.215 169.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -76.22 -44.24 38.5 Favored 'General case' 0 C--N 1.365 1.282 0 O-C-N 119.213 -2.179 . . . . 0.0 110.048 170.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 49.3 mt -66.18 -50.1 71.17 Favored 'Isoleucine or valine' 0 C--N 1.36 1.06 0 C-N-CA 129.339 3.056 . . . . 0.0 111.344 179.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 71.9 mtt85 -70.22 -23.37 62.92 Favored 'General case' 0 C--N 1.361 1.09 0 O-C-N 118.571 -2.581 . . . . 0.0 114.082 174.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -78.97 -37.6 39.08 Favored 'General case' 0 C--N 1.373 1.63 0 C-N-CA 125.183 1.393 . . . . 0.0 111.195 171.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . 0.443 36.8 mt-30 -58.64 -46.83 86.27 Favored 'General case' 0 C--N 1.37 1.462 0 C-N-CA 128.519 2.728 . . . . 0.0 112.935 171.522 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -81.42 -49.63 10.42 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 115.447 1.647 . . . . 0.0 115.447 175.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 . . . . . 0 C--N 1.363 1.157 0 N-CA-C 117.939 2.57 . . . . 0.0 117.939 -172.517 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.476 0.856 0 CA-C-O 121.789 0.804 . . . . 0.0 111.412 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -73.87 -41.99 61.41 Favored 'General case' 0 C--N 1.365 1.255 0 O-C-N 119.823 -1.798 . . . . 0.0 112.218 171.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -71.4 -53.86 12.63 Favored 'General case' 0 C--N 1.363 1.185 0 N-CA-C 115.745 1.758 . . . . 0.0 115.745 171.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.253 23.6 m-85 -74.59 -43.75 54.06 Favored 'General case' 0 C--N 1.371 1.532 0 O-C-N 120.014 -1.679 . . . . 0.0 115.362 -178.481 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . 0.396 3.9 t -69.08 -29.33 67.41 Favored 'General case' 0 C--N 1.371 1.507 0 N-CA-C 115.714 1.746 . . . . 0.0 115.714 176.322 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -69.82 -38.17 76.47 Favored 'General case' 0 C--N 1.37 1.477 0 C-N-CA 125.526 1.531 . . . . 0.0 111.306 173.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -74.86 -49.56 20.05 Favored 'General case' 0 C--N 1.366 1.304 0 C-N-CA 125.046 1.338 . . . . 0.0 113.244 170.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.419 ' CE1' ' CE2' ' A' ' 46' ' ' TYR 0.264 44.0 t80 -63.13 -48.27 79.22 Favored 'General case' 0 C--N 1.367 1.369 0 C-N-CA 126.362 1.865 . . . . 0.0 113.458 179.138 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.627 ' NE ' HD12 ' A' ' 73' ' ' LEU 0.303 1.0 OUTLIER -69.21 -29.21 67.12 Favored 'General case' 0 C--N 1.371 1.505 0 CA-C-N 123.402 2.819 . . . . 0.0 113.743 174.031 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -68.06 -51.38 47.32 Favored 'General case' 0 C--N 1.368 1.406 0 CA-C-N 121.451 1.932 . . . . 0.0 114.363 170.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.427 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 65.0 m-20 -70.51 -38.44 74.29 Favored 'General case' 0 C--N 1.356 0.873 0 N-CA-C 114.615 1.339 . . . . 0.0 114.615 178.159 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -67.56 -47.9 68.51 Favored 'General case' 0 C--N 1.37 1.49 0 C-N-CA 128.29 2.636 . . . . 0.0 111.408 173.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.469 ' HB2' ' O ' ' A' ' 24' ' ' ARG 0.301 15.5 mt -66.51 -34.78 78.68 Favored 'General case' 0 C--N 1.38 1.926 0 CA-C-O 117.092 -1.433 . . . . 0.0 113.016 173.17 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -58.98 -53.98 52.31 Favored 'General case' 0 C--N 1.375 1.68 0 CA-C-N 121.572 1.987 . . . . 0.0 113.37 168.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.427 ' HB2' ' O ' ' A' ' 26' ' ' ASP . 2.7 tp -57.03 -37.93 72.44 Favored 'General case' 0 C--N 1.359 1.001 0 C-N-CA 128.013 2.525 . . . . 0.0 114.602 176.142 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.7 tt -67.7 -54.23 21.14 Favored 'General case' 0 C--N 1.37 1.493 0 C-N-CA 131.24 3.816 . . . . 0.0 111.32 175.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 34.0 mtp180 -66.13 -45.73 80.0 Favored 'General case' 0 C--N 1.357 0.919 0 C-N-CA 128.215 2.606 . . . . 0.0 116.45 177.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.533 ' HA ' ' HB3' ' A' ' 103' ' ' GLN 0.289 5.0 ptt180 -72.08 -51.21 22.61 Favored 'General case' 0 CA--C 1.472 -2.053 0 N-CA-C 117.248 2.314 . . . . 0.0 117.248 170.092 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -82.56 -32.93 28.28 Favored 'General case' 0 N--CA 1.438 -1.044 0 C-N-CA 118.268 -1.373 . . . . 0.0 114.178 -167.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -111.33 -40.56 4.37 Favored 'General case' 0 C--N 1.358 0.956 0 C-N-CA 125.693 1.597 . . . . 0.0 111.595 -174.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.408 ' HA2' HG23 ' A' ' 100' ' ' ILE . . . 78.31 -107.92 2.55 Favored Glycine 0 C--N 1.377 2.859 0 C-N-CA 127.861 2.648 . . . . 0.0 111.141 -168.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.8 p -124.56 108.29 11.93 Favored 'General case' 0 N--CA 1.442 -0.866 0 N-CA-C 104.053 -2.573 . . . . 0.0 104.053 171.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -147.8 150.3 33.96 Favored 'General case' 0 CA--C 1.509 -0.603 0 C-N-CA 125.48 1.512 . . . . 0.0 108.718 176.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.96 107.4 7.01 Favored 'General case' 0 C--N 1.366 1.319 0 CA-C-O 123.38 1.562 . . . . 0.0 110.25 172.13 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.4 p -147.95 144.85 19.05 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.896 0 N-CA-C 106.228 -1.767 . . . . 0.0 106.228 -172.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 65.3 t-80 -75.07 131.93 40.92 Favored 'General case' 0 C--N 1.357 0.933 0 C-N-CA 127.065 2.146 . . . . 0.0 111.627 -178.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.582 ' HB2' HD11 ' A' ' 66' ' ' LEU . 4.2 m120 -53.64 -39.69 65.22 Favored 'General case' 0 C--N 1.377 1.8 0 N-CA-C 115.539 1.681 . . . . 0.0 115.539 -176.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.261 36.0 m120 -58.06 -26.9 63.1 Favored 'General case' 0 C--N 1.365 1.26 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 172.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.452 ' HA ' ' ND2' ' A' ' 47' ' ' ASN . 6.9 mt -76.39 -42.49 36.24 Favored 'Isoleucine or valine' 0 C--N 1.369 1.43 0 C-N-CA 127.029 2.132 . . . . 0.0 112.019 172.369 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.1 m -73.32 -31.53 34.18 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.245 0 O-C-N 121.097 -1.002 . . . . 0.0 110.822 173.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.419 ' CE2' ' CE1' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -66.24 -53.22 39.65 Favored 'General case' 0 C--N 1.388 2.265 0 C-N-CA 128.261 2.624 . . . . 0.0 110.571 172.659 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.452 ' ND2' ' HA ' ' A' ' 44' ' ' ILE . 15.2 p30 -63.72 -28.31 69.8 Favored 'General case' 0 C--N 1.386 2.19 0 C-N-CA 125.188 1.395 . . . . 0.0 113.534 177.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.62 -41.53 45.64 Favored 'General case' 0 C--N 1.368 1.404 0 CA-C-N 114.641 -1.163 . . . . 0.0 110.799 179.264 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.54 ' CE1' HG23 ' A' ' 50' ' ' ILE . 1.5 t80 -64.11 -52.44 59.17 Favored 'General case' 0 C--N 1.367 1.341 0 C-N-CA 129.971 3.308 . . . . 0.0 112.023 172.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.54 HG23 ' CE1' ' A' ' 49' ' ' TYR . 2.9 pt -77.55 -17.55 14.21 Favored 'Isoleucine or valine' 0 C--N 1.357 0.909 0 N-CA-C 118.436 2.754 . . . . 0.0 118.436 -177.191 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.0 t -78.89 55.99 1.84 Allowed 'General case' 0 CA--C 1.564 1.516 0 O-C-N 120.28 -1.513 . . . . 0.0 110.318 171.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 49.5 m-70 -154.59 -170.01 3.39 Favored 'General case' 0 CA--C 1.545 0.787 2 C-N-CA 133.976 4.91 . . . . 0.0 99.656 -174.579 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.7 -40.38 96.96 Favored 'General case' 0 C--N 1.367 1.342 0 O-C-N 118.313 -2.742 . . . . 0.0 117.733 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -61.4 12.76 0.01 OUTLIER 'General case' 0 N--CA 1.444 -0.755 2 C-N-CA 136.167 5.787 . . . . 0.0 122.305 -170.261 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.447 ' HD2' ' HB ' ' A' ' 50' ' ' ILE 0.326 4.9 t-160 -35.95 56.21 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.893 1 N-CA-C 124.577 5.028 . . . . 0.0 124.577 -175.606 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.513 HG23 ' HB3' ' A' ' 60' ' ' ALA . 96.7 mt -91.34 104.39 15.44 Favored 'Isoleucine or valine' 0 C--N 1.355 0.84 0 C-N-CA 131.672 3.989 . . . . 0.0 106.798 172.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -91.73 -176.54 4.5 Favored 'General case' 0 CA--C 1.518 -0.272 0 O-C-N 120.368 -1.458 . . . . 0.0 109.795 -179.187 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.5 ' CE ' HD12 ' A' ' 66' ' ' LEU . 12.3 tpp -62.38 -10.15 10.45 Favored 'General case' 0 C--N 1.378 1.838 0 O-C-N 118.695 -2.503 . . . . 0.0 114.122 174.305 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -86.04 -1.94 57.84 Favored 'General case' 0 N--CA 1.424 -1.755 1 C-N-CA 133.438 4.695 . . . . 0.0 112.794 178.124 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.513 ' HB3' HG23 ' A' ' 56' ' ' ILE . . . -117.4 20.3 13.66 Favored 'General case' 0 C--N 1.368 1.398 0 C-N-CA 126.66 1.984 . . . . 0.0 113.19 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . 0.29 4.7 t -148.41 172.26 14.72 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.846 1.258 . . . . 0.0 110.295 -177.159 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -80.73 -1.27 42.02 Favored 'General case' 0 C--N 1.374 1.65 0 N-CA-C 117.153 2.279 . . . . 0.0 117.153 -173.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 1.5 m-90 -99.45 108.82 21.38 Favored 'General case' 0 C--N 1.353 0.733 0 C-N-CA 127.421 2.288 . . . . 0.0 106.127 176.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -79.03 -37.68 38.48 Favored 'General case' 0 C--N 1.36 1.038 0 CA-C-O 122.991 1.376 . . . . 0.0 112.367 -177.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 78.4 p -103.24 167.63 9.7 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 125.624 1.57 . . . . 0.0 107.288 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.582 HD11 ' HB2' ' A' ' 42' ' ' ASN . 9.9 tp -71.44 -34.63 70.43 Favored 'General case' 0 C--N 1.364 1.232 0 O-C-N 120.177 -1.577 . . . . 0.0 112.588 176.414 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.452 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 26.1 m -57.31 -38.76 74.52 Favored 'General case' 0 C--N 1.359 0.985 0 C-N-CA 131.526 3.93 . . . . 0.0 111.894 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -72.09 -30.49 65.15 Favored 'General case' 0 C--N 1.363 1.155 0 N-CA-C 115.658 1.725 . . . . 0.0 115.658 174.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.564 ' CZ ' HD13 ' A' ' 73' ' ' LEU . 7.3 t80 -73.19 -35.11 66.32 Favored 'General case' 0 C--N 1.373 1.609 0 C-N-CA 124.799 1.24 . . . . 0.0 110.019 172.339 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . 0.361 0.7 OUTLIER -71.78 -34.35 69.35 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 125.978 1.711 . . . . 0.0 112.885 177.149 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' A' ' 67' ' ' THR . 0.0 OUTLIER -62.15 -45.19 94.52 Favored 'General case' 0 C--N 1.374 1.668 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 167.184 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 79.8 t90 -76.14 -48.54 20.22 Favored 'General case' 0 C--N 1.366 1.308 0 C-N-CA 125.384 1.473 . . . . 0.0 112.461 -177.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.627 HD12 ' NE ' ' A' ' 24' ' ' ARG 0.598 0.2 OUTLIER -65.67 -34.08 77.39 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 128.678 2.791 . . . . 0.0 116.652 177.754 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -59.47 -28.05 64.32 Favored Glycine 0 C--N 1.342 0.881 0 C-N-CA 129.041 3.21 . . . . 0.0 117.207 163.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -82.26 -39.9 22.33 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 126.831 2.053 . . . . 0.0 116.361 -176.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -76.16 -17.88 59.36 Favored 'General case' 0 C--N 1.356 0.881 0 C-N-CA 126.173 1.789 . . . . 0.0 114.905 -172.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.58 23.71 45.78 Favored Glycine 0 C--N 1.354 1.582 0 C-N-CA 120.305 -0.95 . . . . 0.0 115.129 179.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.551 ' HB2' ' NH2' ' A' ' 24' ' ' ARG . 0.5 OUTLIER -102.28 -33.15 9.71 Favored 'General case' 0 C--O 1.211 -0.929 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 171.519 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 92' ' ' TYR . 5.0 m -136.72 138.34 40.89 Favored 'General case' 0 C--N 1.36 1.047 0 CA-C-N 122.46 2.391 . . . . 0.0 115.909 178.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -107.18 123.39 48.2 Favored 'General case' 0 C--N 1.37 1.475 0 CA-C-N 120.313 1.415 . . . . 0.0 111.998 178.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.568 HG22 HG22 ' A' ' 90' ' ' ILE . 0.2 OUTLIER -99.58 156.84 3.91 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.123 0 O-C-N 118.82 -2.425 . . . . 0.0 116.955 -170.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -145.71 149.37 34.31 Favored 'General case' 0 C--N 1.358 0.948 0 CA-C-N 111.953 -2.385 . . . . 0.0 109.395 177.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -121.07 139.51 53.22 Favored 'General case' 0 C--N 1.365 1.263 0 O-C-N 120.224 -1.548 . . . . 0.0 110.313 177.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.441 ' HB ' ' CD ' ' A' ' 85' ' ' PRO . 33.3 p -120.33 176.22 1.93 Allowed Pre-proline 0 CA--C 1.497 -1.069 0 C-N-CA 129.903 3.281 . . . . 0.0 109.511 -178.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.441 ' CD ' ' HB ' ' A' ' 84' ' ' THR . 19.6 Cg_exo -69.16 -3.69 12.11 Favored 'Trans proline' 0 N--CA 1.44 -1.629 0 N-CA-C 118.297 2.383 . . . . 0.0 118.297 166.041 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -111.89 -6.33 14.26 Favored 'General case' 0 C--N 1.364 1.214 0 CA-C-N 120.634 1.561 . . . . 0.0 112.684 -177.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 152.27 -162.97 30.07 Favored Glycine 0 C--N 1.362 2.003 0 O-C-N 120.716 -1.24 . . . . 0.0 114.98 -176.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 19.0 m95 -109.4 115.26 29.62 Favored 'General case' 0 C--N 1.359 1.016 0 C-N-CA 127.311 2.244 . . . . 0.0 109.525 177.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -107.93 143.2 36.9 Favored 'General case' 0 C--N 1.362 1.113 0 C-N-CA 128.282 2.633 . . . . 0.0 107.491 -177.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.568 HG22 HG22 ' A' ' 81' ' ' VAL . 8.6 pt -125.93 137.41 57.8 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.057 0 N-CA-C 105.973 -1.862 . . . . 0.0 105.973 -179.598 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . 0.288 16.4 pt20 -119.7 111.39 17.97 Favored 'General case' 0 N--CA 1.427 -1.585 0 N-CA-C 103.679 -2.712 . . . . 0.0 103.679 171.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.409 ' HA ' ' HA ' ' A' ' 79' ' ' CYS 0.503 19.7 t80 -59.43 147.99 34.42 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 127.993 2.517 . . . . 0.0 114.829 -175.812 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.9 mt -90.92 115.38 30.01 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.059 0 C-N-CA 130.666 3.586 . . . . 0.0 102.5 177.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . 0.266 1.2 p30 -63.48 -9.36 12.45 Favored 'General case' 0 C--N 1.355 0.824 0 N-CA-C 121.48 3.882 . . . . 0.0 121.48 -169.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . 0.312 28.6 mmm180 65.48 -101.01 0.07 Allowed 'General case' 0 C--N 1.347 0.484 0 C-N-CA 129.328 3.051 . . . . 0.0 110.752 177.519 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -103.34 107.5 55.95 Favored Pre-proline 0 CA--C 1.519 -0.238 0 CA-C-O 113.709 -3.043 . . . . 0.0 105.941 159.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.83 -15.11 30.54 Favored 'Trans proline' 0 C--N 1.357 1.011 1 CA-C-N 128.493 4.069 . . . . 0.0 118.043 -176.223 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -66.5 -25.78 66.85 Favored 'General case' 0 C--N 1.367 1.347 0 CA-C-N 120.362 1.437 . . . . 0.0 109.815 167.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -60.99 -36.4 79.35 Favored 'General case' 0 C--N 1.372 1.583 0 O-C-N 119.639 -1.913 . . . . 0.0 113.217 171.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.408 HG23 ' HA2' ' A' ' 36' ' ' GLY . 5.7 mm -73.9 -50.5 28.6 Favored 'Isoleucine or valine' 0 C--N 1.366 1.295 0 C-N-CA 130.824 3.65 . . . . 0.0 110.755 177.361 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -70.23 -40.28 74.57 Favored 'General case' 0 C--N 1.36 1.051 0 C-N-CA 126.816 2.047 . . . . 0.0 110.89 -177.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 -69.62 -25.77 64.11 Favored 'General case' 0 C--N 1.371 1.519 0 O-C-N 120.524 -1.36 . . . . 0.0 111.36 169.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.533 ' HB3' ' HA ' ' A' ' 33' ' ' ARG 0.418 22.9 mt-30 -72.99 -43.24 62.41 Favored 'General case' 0 C--N 1.367 1.344 0 N-CA-C 116.692 2.108 . . . . 0.0 116.692 172.079 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.21 -40.91 23.12 Favored 'General case' 0 C--N 1.351 0.662 0 O-C-N 119.928 -1.732 . . . . 0.0 112.671 178.123 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 78.1 mt-10 . . . . . 0 C--N 1.364 1.196 0 N-CA-C 117.021 2.23 . . . . 0.0 117.021 -175.809 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 7.2 tpt . . . . . 0 CA--C 1.495 -1.16 0 CA-C-O 121.598 0.714 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -52.04 -44.78 64.38 Favored 'General case' 0 C--N 1.363 1.16 0 C-N-CA 128.585 2.754 . . . . 0.0 115.226 176.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -69.79 -51.97 29.25 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 125.167 1.387 . . . . 0.0 113.913 174.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -70.93 -37.12 72.89 Favored 'General case' 0 C--N 1.366 1.307 0 C-N-CA 125.232 1.413 . . . . 0.0 113.378 -178.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . 0.307 88.3 p -72.57 -31.71 65.46 Favored 'General case' 0 C--N 1.369 1.423 0 C-N-CA 124.841 1.256 . . . . 0.0 112.933 172.041 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -70.92 -48.71 52.11 Favored 'General case' 0 C--N 1.369 1.423 0 CA-C-N 121.01 1.732 . . . . 0.0 113.482 168.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -63.47 -41.54 98.59 Favored 'General case' 0 C--N 1.379 1.888 0 C-N-CA 125.801 1.64 . . . . 0.0 113.676 178.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.401 ' CZ ' ' CE1' ' A' ' 46' ' ' TYR . 21.3 t80 -73.39 -52.72 12.79 Favored 'General case' 0 C--N 1.358 0.953 0 C-N-CA 124.45 1.1 . . . . 0.0 113.005 169.159 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.508 HH11 HD12 ' A' ' 28' ' ' LEU . 16.5 ttp85 -66.97 -43.93 81.81 Favored 'General case' 0 C--N 1.363 1.196 0 CA-C-N 123.26 2.754 . . . . 0.0 116.076 -177.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -60.02 -49.92 75.75 Favored 'General case' 0 C--N 1.371 1.507 0 CA-C-N 122.458 2.39 . . . . 0.0 114.798 176.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -76.5 -34.07 58.62 Favored 'General case' 0 C--N 1.362 1.12 0 C-N-CA 127.476 2.31 . . . . 0.0 115.382 176.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -71.81 -42.49 66.96 Favored 'General case' 0 C--N 1.366 1.321 0 C-N-CA 125.406 1.483 . . . . 0.0 111.006 173.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.508 HD12 HH11 ' A' ' 24' ' ' ARG . 9.3 mt -67.08 -38.79 86.36 Favored 'General case' 0 C--N 1.379 1.871 0 C-N-CA 126.418 1.887 . . . . 0.0 111.726 178.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.09 -51.62 65.81 Favored 'General case' 0 C--N 1.359 0.994 0 C-N-CA 129.393 3.077 . . . . 0.0 113.004 172.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -76.2 -34.42 59.28 Favored 'General case' 0 C--N 1.363 1.194 0 C-N-CA 128.161 2.584 . . . . 0.0 114.538 178.094 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 tt -60.08 -50.74 72.51 Favored 'General case' 0 C--N 1.368 1.37 0 C-N-CA 131.091 3.756 . . . . 0.0 109.657 173.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.0 mtp180 -61.0 -44.03 98.01 Favored 'General case' 0 C--N 1.366 1.324 0 C-N-CA 128.311 2.645 . . . . 0.0 115.462 170.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.404 ' HA ' ' HB3' ' A' ' 103' ' ' GLN 0.38 1.7 ptp85 -73.29 -53.73 10.12 Favored 'General case' 0 C--N 1.38 1.924 0 N-CA-C 118.644 2.831 . . . . 0.0 118.644 170.001 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 24.6 mmt85 -82.48 -31.01 29.55 Favored 'General case' 0 C--N 1.353 0.728 0 N-CA-C 113.977 1.103 . . . . 0.0 113.977 -165.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -111.71 -35.34 5.78 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.494 1.518 . . . . 0.0 110.378 -177.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.44 -100.2 1.78 Allowed Glycine 0 C--N 1.387 3.371 0 C-N-CA 127.783 2.611 . . . . 0.0 109.327 -173.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.435 HG22 ' CD1' ' A' ' 92' ' ' TYR . 23.6 p -134.26 108.02 8.0 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 100.574 -3.862 . . . . 0.0 100.574 166.368 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.8 ttmt -150.0 142.58 24.49 Favored 'General case' 0 CA--C 1.501 -0.941 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.33 109.68 4.85 Favored 'General case' 0 C--N 1.354 0.783 0 C-N-CA 126.941 2.096 . . . . 0.0 112.452 173.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.4 p -150.56 155.18 7.75 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.083 0 N-CA-C 104.686 -2.339 . . . . 0.0 104.686 -173.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -86.54 132.73 33.84 Favored 'General case' 0 C--N 1.369 1.421 0 CA-C-O 125.488 2.566 . . . . 0.0 108.913 177.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.4 ' CG ' HD21 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -53.88 -30.9 47.83 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 128.144 2.578 . . . . 0.0 116.59 -178.539 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.01 -27.59 66.69 Favored 'General case' 0 C--N 1.358 0.937 0 C-N-CA 126.111 1.765 . . . . 0.0 110.812 176.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.8 mt -74.57 -44.51 47.05 Favored 'Isoleucine or valine' 0 C--N 1.369 1.442 0 O-C-N 120.226 -1.546 . . . . 0.0 110.734 169.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . 0.252 1.9 m -70.44 -36.05 64.75 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.325 0 C-N-CA 126.22 1.808 . . . . 0.0 113.987 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.401 ' CE1' ' CZ ' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -62.56 -50.92 69.4 Favored 'General case' 0 C--N 1.384 2.084 0 C-N-CA 129.111 2.964 . . . . 0.0 111.199 173.504 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -63.51 -27.17 69.08 Favored 'General case' 0 C--N 1.358 0.963 0 C-N-CA 129.507 3.123 . . . . 0.0 112.619 175.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -78.25 -38.08 43.67 Favored 'General case' 0 C--N 1.361 1.072 0 C-N-CA 124.524 1.13 . . . . 0.0 112.574 172.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.436 ' CE1' HG23 ' A' ' 50' ' ' ILE . 0.6 OUTLIER -65.58 -45.84 81.71 Favored 'General case' 0 C--N 1.359 1.006 0 C-N-CA 129.954 3.302 . . . . 0.0 113.927 175.336 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.537 HG22 ' HA ' ' A' ' 55' ' ' HIS . 2.6 pt -77.14 -20.6 14.36 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.751 0 N-CA-C 120.198 3.407 . . . . 0.0 120.198 -175.206 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.2 t -74.01 50.24 0.36 Allowed 'General case' 0 CA--C 1.565 1.547 0 O-C-N 119.75 -1.844 . . . . 0.0 112.977 176.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 -150.95 -162.74 1.61 Allowed 'General case' 0 N--CA 1.442 -0.841 1 C-N-CA 133.47 4.708 . . . . 0.0 104.159 -169.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.72 -37.47 76.53 Favored 'General case' 0 C--N 1.369 1.431 0 N-CA-C 116.116 1.895 . . . . 0.0 116.116 176.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -69.19 11.47 0.22 Allowed 'General case' 0 CA--C 1.502 -0.88 1 C-N-CA 133.614 4.766 . . . . 0.0 120.208 -168.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.537 ' HA ' HG22 ' A' ' 50' ' ' ILE 0.323 31.7 t-80 -43.11 92.9 0.01 OUTLIER 'General case' 0 C--N 1.361 1.07 0 N-CA-C 119.253 3.057 . . . . 0.0 119.253 -178.67 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.451 ' O ' HG21 ' A' ' 50' ' ' ILE . 76.7 mt -124.63 152.54 30.79 Favored 'Isoleucine or valine' 0 C--N 1.354 0.783 1 C-N-CA 131.913 4.085 . . . . 0.0 106.242 179.586 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.502 ' CG ' HD22 ' A' ' 59' ' ' ASN . 3.7 t-160 -114.82 149.47 37.0 Favored 'General case' 0 C--N 1.347 0.469 0 N-CA-C 103.746 -2.687 . . . . 0.0 103.746 168.157 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -51.76 -22.28 3.45 Favored 'General case' 0 C--N 1.378 1.819 0 N-CA-C 118.245 2.683 . . . . 0.0 118.245 -176.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.502 HD22 ' CG ' ' A' ' 57' ' ' HIS . 21.8 m-80 -69.6 -22.1 63.53 Favored 'General case' 0 N--CA 1.428 -1.557 1 C-N-CA 132.737 4.415 . . . . 0.0 111.118 -178.344 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -80.18 30.94 0.27 Allowed 'General case' 0 C--N 1.384 2.108 0 C-N-CA 127.655 2.382 . . . . 0.0 116.391 173.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.45 HG21 ' CZ3' ' A' ' 63' ' ' TRP . 30.8 p -129.26 -154.23 0.62 Allowed 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 126.483 1.913 . . . . 0.0 111.893 -171.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -116.68 10.01 14.22 Favored 'General case' 0 C--N 1.373 1.59 0 CA-C-O 124.06 1.886 . . . . 0.0 109.769 171.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.45 ' CZ3' HG21 ' A' ' 61' ' ' THR . 3.0 m0 -98.4 106.18 18.42 Favored 'General case' 0 N--CA 1.435 -1.221 0 C-N-CA 128.323 2.649 . . . . 0.0 105.656 178.186 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -77.34 -7.26 55.76 Favored 'General case' 0 C--N 1.364 1.236 0 C-N-CA 127.436 2.295 . . . . 0.0 114.921 -175.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.1 t -163.46 161.08 24.03 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 100.233 -3.988 . . . . 0.0 100.233 -178.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.4 HD21 ' CG ' ' A' ' 42' ' ' ASN . 4.3 tp -56.92 -34.16 67.69 Favored 'General case' 0 C--N 1.369 1.415 0 C-N-CA 127.221 2.208 . . . . 0.0 114.199 -176.471 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.67 HG23 ' CZ2' ' A' ' 88' ' ' TRP . 44.5 m -55.86 -41.29 74.13 Favored 'General case' 0 C--N 1.359 1.015 0 C-N-CA 130.567 3.547 . . . . 0.0 112.893 -177.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -71.42 -27.36 63.24 Favored 'General case' 0 C--N 1.354 0.766 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 177.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -70.04 -38.61 75.89 Favored 'General case' 0 C--N 1.372 1.555 0 CA-C-O 123.515 1.626 . . . . 0.0 110.037 170.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.61 ' HB ' HG21 ' A' ' 81' ' ' VAL . 0.7 OUTLIER -70.69 -33.59 71.07 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 126.306 1.842 . . . . 0.0 112.211 178.765 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.415 ' HG2' ' O ' ' A' ' 67' ' ' THR . 0.0 OUTLIER -65.54 -39.21 91.48 Favored 'General case' 0 C--N 1.378 1.813 0 C-N-CA 124.809 1.244 . . . . 0.0 114.198 168.074 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 70.7 t90 -76.02 -55.63 5.42 Favored 'General case' 0 C--N 1.368 1.374 0 C-N-CA 126.151 1.781 . . . . 0.0 112.417 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . 0.421 0.0 OUTLIER -65.32 -35.05 79.8 Favored 'General case' 0 C--N 1.352 0.682 0 C-N-CA 126.743 2.017 . . . . 0.0 114.775 178.562 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -61.24 -30.57 74.3 Favored Glycine 0 C--N 1.371 2.482 0 C-N-CA 126.785 2.136 . . . . 0.0 114.625 163.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -83.25 -31.82 26.77 Favored 'General case' 0 C--N 1.364 1.225 0 C-N-CA 126.389 1.876 . . . . 0.0 114.57 177.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -79.05 -7.07 57.82 Favored 'General case' 0 C--N 1.367 1.339 0 O-C-N 120.667 -1.271 . . . . 0.0 112.82 176.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 84.4 34.04 18.04 Favored Glycine 0 C--N 1.358 1.769 0 C-N-CA 124.485 1.04 . . . . 0.0 113.963 178.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.4 HD23 ' HD3' ' A' ' 95' ' ' ARG . 0.2 OUTLIER -114.47 4.85 15.38 Favored 'General case' 0 C--N 1.365 1.25 0 CA-C-O 123.042 1.401 . . . . 0.0 108.777 176.464 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.499 ' SG ' HG23 ' A' ' 81' ' ' VAL . 26.3 t -154.62 152.53 30.11 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 116.638 2.088 . . . . 0.0 116.638 174.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 63.3 mttt -114.81 110.45 19.72 Favored 'General case' 0 N--CA 1.431 -1.415 1 C-N-CA 131.856 4.062 . . . . 0.0 104.842 168.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.61 HG21 ' HB ' ' A' ' 70' ' ' THR . 0.2 OUTLIER -112.43 146.88 16.63 Favored 'Isoleucine or valine' 0 C--N 1.352 0.716 0 O-C-N 118.73 -2.481 . . . . 0.0 112.976 -172.437 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -143.87 154.44 43.37 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 125.138 1.375 . . . . 0.0 111.723 175.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 77.6 tt0 -124.76 139.84 53.48 Favored 'General case' 0 C--N 1.369 1.445 0 O-C-N 119.828 -1.795 . . . . 0.0 111.51 179.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.449 ' HB ' ' CD ' ' A' ' 85' ' ' PRO . 61.7 p -119.21 176.81 1.55 Allowed Pre-proline 0 C--N 1.357 0.898 0 C-N-CA 130.969 3.708 . . . . 0.0 110.546 -178.3 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.449 ' CD ' ' HB ' ' A' ' 84' ' ' THR . 15.4 Cg_exo -69.95 -8.37 23.44 Favored 'Trans proline' 0 N--CA 1.442 -1.531 0 N-CA-C 118.206 2.349 . . . . 0.0 118.206 166.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.95 -6.1 14.26 Favored 'General case' 0 C--N 1.365 1.266 0 CA-C-N 121.596 1.998 . . . . 0.0 112.64 -178.526 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 156.16 -177.49 33.17 Favored Glycine 0 C--N 1.358 1.773 0 O-C-N 120.23 -1.544 . . . . 0.0 114.642 -177.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.67 ' CZ2' HG23 ' A' ' 67' ' ' THR . 9.2 m95 -93.37 107.39 19.23 Favored 'General case' 0 C--N 1.359 1.006 0 C-N-CA 129.32 3.048 . . . . 0.0 110.322 178.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -102.19 126.17 49.09 Favored 'General case' 0 C--N 1.355 0.813 0 N-CA-C 105.734 -1.95 . . . . 0.0 105.734 -178.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.491 ' HB ' ' SG ' ' A' ' 79' ' ' CYS . 1.0 OUTLIER -115.22 136.01 53.34 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.668 0 N-CA-C 103.525 -2.768 . . . . 0.0 103.525 -174.495 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -128.54 113.92 16.09 Favored 'General case' 0 CA--C 1.486 -1.518 1 N-CA-C 98.051 -4.796 . . . . 0.0 98.051 179.697 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.435 ' CD1' HG22 ' A' ' 37' ' ' THR 0.547 0.0 OUTLIER -72.98 147.99 44.66 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.569 1.148 . . . . 0.0 111.64 -178.038 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -86.71 119.27 34.37 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.071 0 C-N-CA 128.007 2.523 . . . . 0.0 105.833 -177.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . 0.269 4.5 p-10 -76.62 97.92 4.55 Favored 'General case' 0 C--N 1.362 1.139 0 CA-C-N 120.734 1.606 . . . . 0.0 112.282 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.4 ' HD3' HD23 ' A' ' 78' ' ' LEU 0.256 25.1 mmm180 -43.35 -77.17 0.02 OUTLIER 'General case' 0 C--N 1.359 1.005 1 C-N-CA 131.704 4.001 . . . . 0.0 114.263 -178.796 . . . . . . . . 4 3 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -102.97 133.2 20.49 Favored Pre-proline 0 CA--C 1.537 0.459 0 CA-C-O 113.663 -3.065 . . . . 0.0 104.655 153.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -68.98 -18.95 40.47 Favored 'Trans proline' 0 C--N 1.36 1.139 2 CA-C-N 129.706 4.502 . . . . 0.0 112.846 174.352 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -67.33 -28.4 67.95 Favored 'General case' 0 C--N 1.364 1.229 0 C-N-CA 124.7 1.2 . . . . 0.0 110.967 168.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.429 ' O ' ' HB2' ' A' ' 103' ' ' GLN 0.297 0.5 OUTLIER -65.39 -34.57 78.61 Favored 'General case' 0 C--N 1.373 1.625 0 O-C-N 119.637 -1.915 . . . . 0.0 112.992 175.366 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.439 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 1.7 mp -73.28 -51.0 27.61 Favored 'Isoleucine or valine' 0 C--N 1.376 1.726 0 C-N-CA 130.675 3.59 . . . . 0.0 110.466 173.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 43.3 mtp-105 -67.68 -38.58 83.93 Favored 'General case' 0 C--N 1.369 1.445 0 O-C-N 120.01 -1.681 . . . . 0.0 112.656 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 8.4 mmt180 -73.1 -22.7 60.51 Favored 'General case' 0 C--N 1.372 1.578 0 C-N-CA 125.765 1.626 . . . . 0.0 110.251 171.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.429 ' HB2' ' O ' ' A' ' 99' ' ' THR 0.271 0.0 OUTLIER -69.4 -54.95 11.86 Favored 'General case' 0 C--N 1.363 1.172 0 N-CA-C 115.306 1.595 . . . . 0.0 115.306 170.504 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 100' ' ' ILE . 0.1 OUTLIER -76.27 -43.1 43.25 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 125.391 1.476 . . . . 0.0 114.874 -177.353 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 . . . . . 0 C--N 1.367 1.357 0 N-CA-C 116.391 1.997 . . . . 0.0 116.391 -174.687 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.483 1.195 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -56.07 -52.48 64.12 Favored 'General case' 0 C--N 1.368 1.371 0 C-N-CA 127.373 2.269 . . . . 0.0 113.251 171.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -70.97 -52.7 18.22 Favored 'General case' 0 C--N 1.366 1.288 0 N-CA-C 116.052 1.871 . . . . 0.0 116.052 172.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.369 63.0 m-85 -73.6 -33.81 64.76 Favored 'General case' 0 C--N 1.374 1.672 0 CA-C-N 120.076 1.307 . . . . 0.0 113.486 -175.185 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.3 t -73.24 -31.27 64.02 Favored 'General case' 0 C--N 1.378 1.836 0 O-C-N 121.028 -1.045 . . . . 0.0 113.431 168.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -70.94 -48.98 50.43 Favored 'General case' 0 C--N 1.372 1.568 0 CA-C-N 121.934 2.152 . . . . 0.0 113.497 171.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -65.87 -41.11 92.03 Favored 'General case' 0 C--N 1.372 1.568 0 C-N-CA 125.379 1.472 . . . . 0.0 113.442 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.434 ' CZ ' ' CE2' ' A' ' 46' ' ' TYR . 11.0 t80 -73.4 -53.94 9.51 Favored 'General case' 0 C--N 1.366 1.308 0 O-C-N 121.118 -0.989 . . . . 0.0 112.754 168.466 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.458 ' HG3' HD13 ' A' ' 28' ' ' LEU 0.3 36.6 ttp85 -70.43 -35.48 73.42 Favored 'General case' 0 C--N 1.368 1.392 0 N-CA-C 119.563 3.172 . . . . 0.0 119.563 -175.423 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -62.95 -51.12 68.11 Favored 'General case' 0 C--N 1.379 1.855 0 CA-C-N 122.238 2.29 . . . . 0.0 113.307 176.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -69.59 -44.24 71.19 Favored 'General case' 0 C--N 1.358 0.947 0 C-N-CA 128.356 2.663 . . . . 0.0 113.704 174.094 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -63.48 -46.59 85.47 Favored 'General case' 0 C--N 1.368 1.408 0 C-N-CA 126.212 1.805 . . . . 0.0 113.122 175.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.639 HD11 HD11 ' A' ' 73' ' ' LEU . 5.8 mp -66.29 -35.84 81.42 Favored 'General case' 0 C--N 1.382 2.005 0 CA-C-N 121.227 1.83 . . . . 0.0 112.588 175.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -59.65 -53.21 60.68 Favored 'General case' 0 C--N 1.363 1.194 0 C-N-CA 126.9 2.08 . . . . 0.0 113.298 172.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.461 HD21 ' HG2' ' A' ' 48' ' ' GLU . 0.4 OUTLIER -64.96 -37.52 87.93 Favored 'General case' 0 C--N 1.358 0.953 0 C-N-CA 129.077 2.951 . . . . 0.0 115.507 178.088 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.496 HD13 HD23 ' A' ' 28' ' ' LEU . 1.8 tt -64.41 -51.26 64.08 Favored 'General case' 0 C--N 1.374 1.642 0 C-N-CA 131.316 3.846 . . . . 0.0 109.507 171.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.4 mtm180 -62.95 -46.73 86.38 Favored 'General case' 0 C--N 1.362 1.14 0 N-CA-C 116.016 1.858 . . . . 0.0 116.016 174.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . 0.322 13.6 ptt180 -72.58 -53.67 11.29 Favored 'General case' 0 CA--C 1.494 -1.207 0 N-CA-C 119.819 3.266 . . . . 0.0 119.819 172.453 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.408 HH21 ' HG2' ' A' ' 48' ' ' GLU . 9.7 mtm180 -83.12 -20.5 34.71 Favored 'General case' 0 C--N 1.357 0.919 0 N-CA-C 114.57 1.322 . . . . 0.0 114.57 -171.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -120.7 -35.64 3.33 Favored 'General case' 0 C--N 1.358 0.97 0 C-N-CA 125.216 1.406 . . . . 0.0 112.996 -176.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 72.67 -117.0 5.93 Favored Glycine 0 C--N 1.396 3.862 0 O-C-N 119.135 -2.228 . . . . 0.0 111.163 -165.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.46 HG22 ' CD2' ' A' ' 92' ' ' TYR . 27.4 p -122.85 108.19 12.73 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 101.731 -3.433 . . . . 0.0 101.731 169.39 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -140.56 143.12 35.17 Favored 'General case' 0 CA--C 1.505 -0.751 0 C-N-CA 124.54 1.136 . . . . 0.0 109.715 178.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.34 108.14 11.46 Favored 'General case' 0 C--N 1.362 1.145 0 CA-C-O 124.615 2.15 . . . . 0.0 110.307 170.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.2 p -143.74 156.46 16.22 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.107 0 C-N-CA 128.115 2.566 . . . . 0.0 104.308 -167.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -83.66 141.38 31.54 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 120.021 -1.675 . . . . 0.0 110.762 178.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -63.43 -28.14 69.77 Favored 'General case' 0 C--N 1.363 1.184 0 N-CA-C 116.79 2.144 . . . . 0.0 116.79 -177.466 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.492 ' O ' ' HB3' ' A' ' 47' ' ' ASN . 4.2 t-20 -63.68 -49.36 73.46 Favored 'General case' 0 C--N 1.373 1.589 0 C-N-CA 126.312 1.845 . . . . 0.0 108.619 170.167 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.258 4.4 mt -54.27 -42.05 55.18 Favored 'Isoleucine or valine' 0 C--N 1.365 1.274 0 CA-C-N 121.587 1.994 . . . . 0.0 116.244 172.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.0 m -71.86 -39.65 67.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 O-C-N 120.589 -1.319 . . . . 0.0 112.044 174.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.434 ' CE2' ' CZ ' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -65.06 -51.31 62.19 Favored 'General case' 0 C--N 1.384 2.07 0 C-N-CA 127.46 2.304 . . . . 0.0 111.427 175.638 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.492 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -59.22 -30.1 68.0 Favored 'General case' 0 C--N 1.367 1.351 0 C-N-CA 130.378 3.471 . . . . 0.0 113.793 176.402 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.461 ' HG2' HD21 ' A' ' 30' ' ' LEU . 22.5 tt0 -81.3 -45.48 16.15 Favored 'General case' 0 C--N 1.364 1.215 0 C-N-CA 126.003 1.721 . . . . 0.0 111.261 177.388 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.468 ' CD2' HG23 ' A' ' 50' ' ' ILE . 0.2 OUTLIER -57.21 -45.52 83.72 Favored 'General case' 0 C--N 1.37 1.482 0 C-N-CA 129.565 3.146 . . . . 0.0 113.298 176.401 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.527 ' HB ' ' HD2' ' A' ' 55' ' ' HIS . 9.5 pt -80.26 -1.38 4.66 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.614 0 N-CA-C 121.058 3.725 . . . . 0.0 121.058 -176.279 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.9 t -84.41 8.34 16.6 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 119.623 1.101 . . . . 0.0 112.736 175.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 69.3 m-70 -98.84 -155.11 0.49 Allowed 'General case' 0 CA--C 1.553 1.083 1 C-N-CA 132.395 4.278 . . . . 0.0 106.595 174.1 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.69 -40.72 84.37 Favored 'General case' 0 C--N 1.369 1.451 0 O-C-N 118.152 -2.842 . . . . 0.0 116.854 179.667 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -63.61 11.75 0.03 OUTLIER 'General case' 0 CA--C 1.498 -1.048 1 C-N-CA 135.912 5.685 . . . . 0.0 121.224 -169.285 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.527 ' HD2' ' HB ' ' A' ' 50' ' ' ILE 0.304 30.0 t-80 -47.57 102.74 0.03 OUTLIER 'General case' 0 C--N 1.367 1.351 0 C-N-CA 127.378 2.271 . . . . 0.0 117.085 -178.451 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 37.3 mt -134.22 162.46 39.07 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.054 1 C-N-CA 133.919 4.888 . . . . 0.0 100.879 -177.464 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.524 ' HB3' HD22 ' A' ' 59' ' ' ASN . 0.1 OUTLIER -134.68 154.23 51.63 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 102.629 -3.1 . . . . 0.0 102.629 165.923 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.68 -13.76 0.28 Allowed 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 119.878 3.288 . . . . 0.0 119.878 -172.535 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.524 HD22 ' HB3' ' A' ' 57' ' ' HIS . 15.8 m-80 -85.68 -20.26 29.66 Favored 'General case' 0 N--CA 1.417 -2.107 1 C-N-CA 132.574 4.35 . . . . 0.0 109.735 -173.551 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -92.65 46.65 1.25 Allowed 'General case' 0 C--N 1.381 1.972 0 C-N-CA 130.585 3.554 . . . . 0.0 113.567 175.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . 0.297 10.1 t -162.75 -171.74 2.83 Favored 'General case' 0 C--N 1.356 0.881 0 O-C-N 121.657 -0.652 . . . . 0.0 110.538 -174.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -73.97 -26.1 60.29 Favored 'General case' 0 C--N 1.364 1.213 0 C-N-CA 126.694 1.998 . . . . 0.0 116.169 -175.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -92.79 117.33 29.9 Favored 'General case' 0 N--CA 1.438 -1.032 0 C-N-CA 126.119 1.768 . . . . 0.0 109.633 -177.327 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -68.7 -49.18 60.97 Favored 'General case' 0 C--N 1.364 1.232 0 C-N-CA 125.033 1.333 . . . . 0.0 114.047 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 67.7 p -105.36 157.47 17.31 Favored 'General case' 0 C--N 1.35 0.623 0 C-N-CA 126.437 1.895 . . . . 0.0 106.144 -178.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.6 tp -66.7 -28.15 68.21 Favored 'General case' 0 C--N 1.37 1.47 0 O-C-N 119.082 -2.262 . . . . 0.0 112.943 178.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.608 HG23 ' CZ2' ' A' ' 88' ' ' TRP . 33.1 m -58.21 -40.54 81.87 Favored 'General case' 0 C--N 1.36 1.039 1 C-N-CA 133.163 4.585 . . . . 0.0 110.785 176.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -72.76 -29.61 63.46 Favored 'General case' 0 C--N 1.357 0.91 0 N-CA-C 116.903 2.186 . . . . 0.0 116.903 172.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.415 ' CZ ' HD22 ' A' ' 73' ' ' LEU . 49.7 t80 -72.78 -34.88 67.23 Favored 'General case' 0 C--N 1.373 1.589 0 C-N-CA 125.143 1.377 . . . . 0.0 109.757 172.089 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.425 ' HB ' HG21 ' A' ' 81' ' ' VAL 0.293 0.8 OUTLIER -72.0 -37.66 69.79 Favored 'General case' 0 C--N 1.357 0.905 0 C-N-CA 126.437 1.895 . . . . 0.0 110.838 175.043 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.0 mmtt -63.17 -38.62 91.89 Favored 'General case' 0 C--N 1.378 1.817 0 N-CA-C 115.806 1.78 . . . . 0.0 115.806 167.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 86.7 t90 -80.57 -51.29 8.92 Favored 'General case' 0 C--N 1.361 1.099 0 C-N-CA 124.719 1.208 . . . . 0.0 113.537 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.639 HD11 HD11 ' A' ' 28' ' ' LEU . 0.5 OUTLIER -65.54 -35.29 80.42 Favored 'General case' 0 C--N 1.361 1.088 0 C-N-CA 127.542 2.337 . . . . 0.0 115.693 179.141 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -63.61 -27.73 71.42 Favored Glycine 0 C--N 1.364 2.13 0 C-N-CA 127.405 2.431 . . . . 0.0 113.666 167.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -82.17 -18.3 43.24 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 126.55 1.94 . . . . 0.0 115.916 179.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -76.77 -20.93 55.91 Favored 'General case' 0 C--N 1.352 0.691 0 O-C-N 120.719 -1.238 . . . . 0.0 113.26 178.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.66 20.97 41.85 Favored Glycine 0 C--N 1.373 2.637 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 -172.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.599 ' HB3' HD21 ' A' ' 28' ' ' LEU . 1.4 mt -101.06 -42.13 6.5 Favored 'General case' 0 CA--C 1.471 -2.072 0 C-N-CA 125.343 1.457 . . . . 0.0 111.307 175.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 14.3 m -123.53 156.64 35.27 Favored 'General case' 0 C--O 1.225 -0.191 0 N-CA-C 117.141 2.274 . . . . 0.0 117.141 -178.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 45.7 mttt -114.69 142.89 45.89 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 130.75 3.62 . . . . 0.0 106.257 176.139 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.425 HG21 ' HB ' ' A' ' 70' ' ' THR . 0.2 OUTLIER -139.1 141.81 35.32 Favored 'Isoleucine or valine' 0 C--N 1.352 0.694 0 O-C-N 118.956 -2.34 . . . . 0.0 111.748 -171.404 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -141.6 150.64 42.28 Favored 'General case' 0 C--N 1.363 1.164 0 CA-C-N 114.795 -1.093 . . . . 0.0 109.789 174.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -121.36 139.29 53.63 Favored 'General case' 0 C--N 1.366 1.324 0 O-C-N 120.509 -1.369 . . . . 0.0 109.24 177.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.444 ' HB ' ' CD ' ' A' ' 85' ' ' PRO . 36.1 p -119.91 176.81 1.61 Allowed Pre-proline 0 CA--C 1.499 -1.006 0 C-N-CA 129.506 3.122 . . . . 0.0 109.446 -178.008 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.444 ' CD ' ' HB ' ' A' ' 84' ' ' THR . 19.3 Cg_exo -69.72 -1.55 8.62 Favored 'Trans proline' 0 N--CA 1.44 -1.665 0 N-CA-C 117.995 2.267 . . . . 0.0 117.995 165.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -116.55 -6.54 11.67 Favored 'General case' 0 C--N 1.363 1.155 0 CA-C-N 120.97 1.714 . . . . 0.0 113.293 -178.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 157.44 -162.64 32.07 Favored Glycine 0 C--N 1.362 2.015 0 O-C-N 120.187 -1.571 . . . . 0.0 114.795 -178.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.608 ' CZ2' HG23 ' A' ' 67' ' ' THR . 10.3 m95 -110.34 117.4 33.52 Favored 'General case' 0 C--N 1.363 1.16 0 C-N-CA 127.232 2.213 . . . . 0.0 107.406 178.116 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -112.39 125.65 54.43 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 126.639 1.976 . . . . 0.0 106.438 -176.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -114.26 141.81 29.19 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 C-N-CA 127.971 2.508 . . . . 0.0 107.384 177.294 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -123.47 144.99 49.18 Favored 'General case' 0 N--CA 1.439 -0.996 0 N-CA-C 101.325 -3.583 . . . . 0.0 101.325 173.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.46 ' CD2' HG22 ' A' ' 37' ' ' THR 0.637 0.1 OUTLIER -96.67 150.4 20.72 Favored 'General case' 0 N--CA 1.449 -0.492 0 O-C-N 118.855 -2.403 . . . . 0.0 110.352 179.946 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . 0.264 1.9 mm -85.69 121.45 37.25 Favored 'Isoleucine or valine' 0 C--N 1.351 0.65 1 C-N-CA 132.306 4.242 . . . . 0.0 102.561 -179.329 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.4 ' HB3' HG21 ' A' ' 37' ' ' THR 0.345 12.5 p-10 -78.64 81.66 4.93 Favored 'General case' 0 C--N 1.366 1.317 0 O-C-N 118.908 -2.37 . . . . 0.0 114.294 -177.093 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.419 ' HE ' ' HA ' ' A' ' 95' ' ' ARG . 1.1 mmp_? -37.59 -96.13 0.0 OUTLIER 'General case' 0 C--N 1.364 1.228 1 C-N-CA 131.846 4.058 . . . . 0.0 116.112 177.553 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -102.8 115.49 64.15 Favored Pre-proline 0 C--N 1.345 0.386 0 O-C-N 120.298 -1.501 . . . . 0.0 107.919 163.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -61.43 -28.37 83.72 Favored 'Trans proline' 0 C--N 1.354 0.833 1 C-N-CA 126.618 4.879 . . . . 0.0 114.359 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -71.12 -20.29 62.34 Favored 'General case' 0 C--N 1.358 0.96 0 C-N-CA 127.492 2.317 . . . . 0.0 111.38 170.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -77.08 -47.23 21.08 Favored 'General case' 0 C--N 1.371 1.505 0 O-C-N 119.44 -2.037 . . . . 0.0 109.129 167.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 66.7 mt -64.92 -50.32 75.6 Favored 'Isoleucine or valine' 0 C--N 1.361 1.093 0 C-N-CA 129.452 3.101 . . . . 0.0 112.635 -178.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -70.53 -24.3 62.79 Favored 'General case' 0 C--N 1.36 1.04 0 O-C-N 119.161 -2.212 . . . . 0.0 113.517 175.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.4 mpt_? -79.92 -34.7 38.71 Favored 'General case' 0 C--N 1.371 1.506 0 C-N-CA 125.347 1.459 . . . . 0.0 109.635 174.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . 0.459 37.6 mt-30 -60.6 -47.76 84.77 Favored 'General case' 0 C--N 1.366 1.292 0 C-N-CA 127.382 2.273 . . . . 0.0 112.963 170.36 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -81.28 -44.57 17.5 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 116.472 2.027 . . . . 0.0 116.472 178.047 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 . . . . . 0 C--N 1.357 0.927 0 N-CA-C 117.467 2.395 . . . . 0.0 117.467 -176.098 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 16.4 tpt . . . . . 0 N--CA 1.482 1.149 0 N-CA-C 112.368 0.506 . . . . 0.0 112.368 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -60.8 -46.45 90.48 Favored 'General case' 0 C--N 1.362 1.139 0 O-C-N 119.63 -1.919 . . . . 0.0 114.312 173.097 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -70.64 -52.76 19.14 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 126.793 2.037 . . . . 0.0 115.141 174.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.257 19.1 m-85 -73.88 -32.31 63.54 Favored 'General case' 0 C--N 1.364 1.198 0 C-N-CA 125.513 1.525 . . . . 0.0 113.831 -178.259 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . 0.478 28.5 p -73.13 -29.72 63.09 Favored 'General case' 0 C--N 1.371 1.517 0 O-C-N 120.907 -1.12 . . . . 0.0 113.518 169.66 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -69.56 -36.03 75.94 Favored 'General case' 0 C--N 1.368 1.411 0 O-C-N 120.339 -1.476 . . . . 0.0 112.035 170.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -74.97 -49.15 20.98 Favored 'General case' 0 C--N 1.363 1.166 0 O-C-N 120.37 -1.457 . . . . 0.0 113.915 172.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.455 ' CZ ' ' CE1' ' A' ' 46' ' ' TYR . 25.6 t80 -73.34 -53.12 11.57 Favored 'General case' 0 C--N 1.366 1.311 0 O-C-N 120.566 -1.334 . . . . 0.0 114.529 177.671 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.398 0.0 OUTLIER -66.93 -32.37 73.57 Favored 'General case' 0 C--N 1.367 1.358 0 CA-C-N 122.109 2.231 . . . . 0.0 116.188 -178.762 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -69.82 -51.17 35.93 Favored 'General case' 0 C--N 1.367 1.341 0 O-C-N 118.913 -2.367 . . . . 0.0 114.992 171.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -68.22 -45.02 74.43 Favored 'General case' 0 C--N 1.363 1.189 0 C-N-CA 126.783 2.033 . . . . 0.0 112.717 -179.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -69.08 -39.32 79.12 Favored 'General case' 0 C--N 1.361 1.099 0 C-N-CA 127.238 2.215 . . . . 0.0 110.788 175.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.43 HD11 HD13 ' A' ' 78' ' ' LEU 0.302 8.2 mt -66.2 -37.18 84.96 Favored 'General case' 0 C--N 1.383 2.053 0 CA-C-N 121.948 2.158 . . . . 0.0 113.068 171.245 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -65.07 -49.62 69.37 Favored 'General case' 0 C--N 1.365 1.262 0 CA-C-N 121.429 1.922 . . . . 0.0 114.796 172.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.29 -37.51 87.55 Favored 'General case' 0 C--N 1.361 1.091 0 C-N-CA 127.085 2.154 . . . . 0.0 115.063 177.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.82 -39.86 76.25 Favored 'General case' 0 C--N 1.366 1.324 0 C-N-CA 128.634 2.774 . . . . 0.0 112.243 171.01 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 84.0 mtm180 -75.18 -41.79 57.24 Favored 'General case' 0 C--N 1.377 1.791 0 O-C-N 120.863 -1.148 . . . . 0.0 113.422 178.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.415 ' O ' HD22 ' A' ' 104' ' ' LEU 0.343 5.1 ptm180 -71.92 -53.36 13.37 Favored 'General case' 0 C--N 1.373 1.622 0 N-CA-C 117.465 2.395 . . . . 0.0 117.465 170.271 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -82.16 -29.54 31.51 Favored 'General case' 0 C--N 1.354 0.775 0 O-C-N 120.518 -1.364 . . . . 0.0 114.166 -168.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -111.82 -31.86 6.81 Favored 'General case' 0 C--N 1.354 0.763 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 -173.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 78.71 -108.39 2.65 Favored Glycine 0 C--N 1.383 3.172 0 O-C-N 119.896 -1.753 . . . . 0.0 112.591 176.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.625 HG21 ' HB3' ' A' ' 94' ' ' ASP . 0.1 OUTLIER -138.84 109.26 6.51 Favored 'General case' 0 CA--C 1.501 -0.917 0 N-CA-C 101.56 -3.496 . . . . 0.0 101.56 165.104 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.3 ttmt -159.68 155.96 26.96 Favored 'General case' 0 N--CA 1.437 -1.118 0 N-CA-C 103.943 -2.614 . . . . 0.0 103.943 -177.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -70.48 107.79 4.0 Favored 'General case' 0 CA--C 1.57 1.719 0 C-N-CA 126.373 1.869 . . . . 0.0 110.139 172.236 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -122.39 153.34 26.92 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.106 0 O-C-N 118.424 -2.672 . . . . 0.0 105.898 -176.27 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 65.0 t-80 -93.92 119.74 33.24 Favored 'General case' 0 C--N 1.35 0.603 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 174.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.412 ' CB ' HD21 ' A' ' 66' ' ' LEU . 41.0 m-20 -54.73 -29.88 54.71 Favored 'General case' 0 C--N 1.369 1.419 0 N-CA-C 117.944 2.572 . . . . 0.0 117.944 -174.104 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -65.94 -26.8 67.75 Favored 'General case' 0 C--N 1.367 1.329 0 C-N-CA 127.322 2.249 . . . . 0.0 112.725 170.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 20.1 mt -75.45 -42.39 42.61 Favored 'Isoleucine or valine' 0 C--N 1.367 1.362 0 C-N-CA 126.136 1.774 . . . . 0.0 110.12 171.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.1 m -72.82 -36.36 52.04 Favored 'Isoleucine or valine' 0 C--N 1.367 1.364 0 C-N-CA 124.756 1.223 . . . . 0.0 113.249 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.455 ' CE1' ' CZ ' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -61.18 -51.15 70.22 Favored 'General case' 0 C--N 1.385 2.123 0 C-N-CA 126.926 2.09 . . . . 0.0 111.08 176.552 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 55.1 m-80 -63.74 -27.84 69.47 Favored 'General case' 0 C--N 1.363 1.168 0 C-N-CA 130.215 3.406 . . . . 0.0 113.334 175.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -73.56 -41.44 62.94 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.302 1.041 . . . . 0.0 112.67 170.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.454 ' CE2' HG23 ' A' ' 50' ' ' ILE 0.276 1.1 t80 -67.44 -52.47 39.24 Favored 'General case' 0 C--N 1.365 1.245 0 C-N-CA 129.804 3.242 . . . . 0.0 113.667 176.728 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.486 HG21 ' O ' ' A' ' 56' ' ' ILE . 4.2 pt -76.3 -4.73 6.48 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 N-CA-C 118.511 2.782 . . . . 0.0 118.511 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 68.2 m -82.94 55.8 3.21 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.683 1.993 . . . . 0.0 108.241 170.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 78.2 m-70 -171.12 -172.73 1.16 Allowed 'General case' 0 C--N 1.356 0.884 1 C-N-CA 132.388 4.275 . . . . 0.0 101.571 -170.739 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.35 -36.66 71.48 Favored 'General case' 0 C--N 1.375 1.688 0 N-CA-C 118.984 2.957 . . . . 0.0 118.984 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -67.56 12.31 0.1 Allowed 'General case' 0 CA--C 1.496 -1.122 2 C-N-CA 134.589 5.156 . . . . 0.0 121.818 -167.213 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.447 ' CD2' HD12 ' A' ' 50' ' ' ILE 0.343 11.9 t-80 -41.22 95.38 0.01 OUTLIER 'General case' 0 C--N 1.362 1.141 0 N-CA-C 119.096 2.998 . . . . 0.0 119.096 179.77 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.486 ' O ' HG21 ' A' ' 50' ' ' ILE . 60.0 mt -134.15 138.16 50.64 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.259 1 C-N-CA 132.846 4.458 . . . . 0.0 101.695 179.79 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.478 ' HB3' HD22 ' A' ' 59' ' ' ASN . 0.1 OUTLIER -116.86 157.64 25.3 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 104.207 -2.516 . . . . 0.0 104.207 168.877 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.23 -14.48 0.26 Allowed 'General case' 0 C--N 1.365 1.255 0 C-N-CA 129.242 3.017 . . . . 0.0 118.787 -171.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.478 HD22 ' HB3' ' A' ' 57' ' ' HIS . 24.8 m-80 -83.02 -20.61 34.73 Favored 'General case' 0 N--CA 1.426 -1.666 0 C-N-CA 131.477 3.911 . . . . 0.0 108.765 -174.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.4 ' HB3' HG23 ' A' ' 56' ' ' ILE . . . -89.14 49.22 1.73 Allowed 'General case' 0 C--N 1.383 2.03 0 C-N-CA 128.651 2.78 . . . . 0.0 111.389 169.262 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 28.9 p -138.99 -143.28 0.16 Allowed 'General case' 0 C--N 1.355 0.847 0 C-N-CA 126.153 1.781 . . . . 0.0 106.716 -177.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -135.82 21.72 3.31 Favored 'General case' 0 C--N 1.365 1.251 0 CA-C-O 124.555 2.121 . . . . 0.0 108.012 174.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.467 ' CE3' ' HB2' ' A' ' 69' ' ' PHE . 3.7 m0 -116.48 156.08 27.48 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 128.863 2.865 . . . . 0.0 108.411 -178.529 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -101.28 -55.57 2.51 Favored 'General case' 0 C--N 1.365 1.249 0 N-CA-C 119.606 3.187 . . . . 0.0 119.606 -170.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.0 t -141.72 35.01 1.61 Allowed 'General case' 0 C--N 1.355 0.832 0 O-C-N 120.155 -1.59 . . . . 0.0 109.602 -169.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.412 HD21 ' CB ' ' A' ' 42' ' ' ASN 0.275 3.4 tp 86.73 -41.9 0.04 OUTLIER 'General case' 0 C--N 1.353 0.724 0 C-N-CA 127.619 2.368 . . . . 0.0 112.495 -177.039 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.538 HG23 ' CZ2' ' A' ' 88' ' ' TRP . 45.8 m -56.85 -39.79 74.93 Favored 'General case' 0 CA--C 1.497 -1.075 1 C-N-CA 132.985 4.514 . . . . 0.0 114.643 -172.307 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.25 -27.38 61.55 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 127.879 2.472 . . . . 0.0 116.206 171.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.467 ' HB2' ' CE3' ' A' ' 63' ' ' TRP . 2.8 t80 -75.57 -36.83 60.28 Favored 'General case' 0 C--N 1.363 1.177 0 C-N-CA 126.905 2.082 . . . . 0.0 108.045 172.28 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . 0.374 0.6 OUTLIER -71.76 -34.5 69.54 Favored 'General case' 0 C--N 1.359 1.022 0 C-N-CA 126.672 1.989 . . . . 0.0 110.917 174.797 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.9 mmtt -63.36 -38.17 90.12 Favored 'General case' 0 C--N 1.37 1.467 0 N-CA-C 116.12 1.896 . . . . 0.0 116.12 166.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 91.1 t90 -80.83 -46.92 14.57 Favored 'General case' 0 C--N 1.369 1.441 0 C-N-CA 126.436 1.894 . . . . 0.0 114.537 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.402 HD21 ' SG ' ' A' ' 79' ' ' CYS 0.33 2.6 tp -65.48 -34.65 78.78 Favored 'General case' 0 C--N 1.351 0.631 0 O-C-N 118.791 -2.443 . . . . 0.0 112.267 176.39 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.45 ' HA2' ' O ' ' A' ' 79' ' ' CYS . . . -56.94 -34.33 65.37 Favored Glycine 0 C--N 1.373 2.602 0 C-N-CA 128.602 3.001 . . . . 0.0 117.57 158.047 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 64.3 ttt-85 -83.68 -46.74 11.98 Favored 'General case' 0 C--N 1.357 0.91 0 C-N-CA 126.51 1.924 . . . . 0.0 115.84 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -68.06 -14.49 63.02 Favored 'General case' 0 C--N 1.36 1.053 0 C-N-CA 128.47 2.708 . . . . 0.0 114.787 -176.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.45 26.14 28.64 Favored Glycine 0 C--N 1.358 1.769 0 CA-C-O 121.46 0.478 . . . . 0.0 112.845 178.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.43 HD13 HD11 ' A' ' 28' ' ' LEU . 87.0 mt -104.29 -31.56 9.51 Favored 'General case' 0 CA--C 1.491 -1.299 0 O-C-N 121.585 -0.95 . . . . 0.0 111.51 176.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.465 ' SG ' HD12 ' A' ' 90' ' ' ILE . 8.0 m -141.89 154.45 45.13 Favored 'General case' 0 CA--C 1.504 -0.809 0 CA-C-N 122.476 2.398 . . . . 0.0 113.487 174.531 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -94.51 144.84 25.24 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 127.456 2.302 . . . . 0.0 105.914 169.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.499 HG22 HG22 ' A' ' 90' ' ' ILE . 0.2 OUTLIER -131.6 155.13 41.46 Favored 'Isoleucine or valine' 0 C--N 1.346 0.431 0 O-C-N 118.128 -2.857 . . . . 0.0 110.639 -175.006 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -151.67 145.5 25.11 Favored 'General case' 0 C--N 1.357 0.926 0 CA-C-N 114.099 -1.41 . . . . 0.0 109.545 175.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -116.1 139.22 50.52 Favored 'General case' 0 C--N 1.364 1.2 0 O-C-N 120.093 -1.629 . . . . 0.0 109.356 176.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.426 ' HB ' ' CD ' ' A' ' 85' ' ' PRO . 33.3 p -125.05 175.63 2.91 Favored Pre-proline 0 CA--C 1.496 -1.132 0 C-N-CA 127.936 2.495 . . . . 0.0 109.903 -176.44 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.426 ' CD ' ' HB ' ' A' ' 84' ' ' THR . 24.5 Cg_exo -68.49 -1.6 7.7 Favored 'Trans proline' 0 N--CA 1.442 -1.557 0 N-CA-C 117.778 2.184 . . . . 0.0 117.778 164.338 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.1 ttpp -123.05 25.89 8.33 Favored 'General case' 0 C--N 1.36 1.041 0 C-N-CA 125.467 1.507 . . . . 0.0 111.122 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 120.42 -163.95 14.01 Favored Glycine 0 C--N 1.367 2.252 0 N-CA-C 118.181 2.032 . . . . 0.0 118.181 175.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.538 ' CZ2' HG23 ' A' ' 67' ' ' THR . 12.3 m95 -104.61 113.32 26.82 Favored 'General case' 0 C--N 1.368 1.392 0 C-N-CA 128.317 2.647 . . . . 0.0 108.613 176.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -109.74 144.53 38.01 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 126.085 1.754 . . . . 0.0 106.55 -178.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.499 HG22 HG22 ' A' ' 81' ' ' VAL . 3.5 pt -130.54 136.94 57.35 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.255 0 C-N-CA 127.3 2.24 . . . . 0.0 107.42 -178.298 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . 0.272 0.0 OUTLIER -120.21 107.61 13.2 Favored 'General case' 0 N--CA 1.433 -1.303 0 N-CA-C 101.375 -3.565 . . . . 0.0 101.375 176.081 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.5 ' O ' HG22 ' A' ' 37' ' ' THR 0.257 87.4 t80 -54.74 148.9 11.96 Favored 'General case' 0 C--N 1.354 0.783 0 C-N-CA 128.666 2.787 . . . . 0.0 114.001 -178.234 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.9 mt -88.05 112.94 24.35 Favored 'Isoleucine or valine' 0 CA--C 1.482 -1.649 0 N-CA-C 104.094 -2.558 . . . . 0.0 104.094 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.625 ' HB3' HG21 ' A' ' 37' ' ' THR 0.31 7.7 p-10 -76.59 95.01 3.83 Favored 'General case' 0 C--N 1.358 0.949 0 CA-C-O 122.182 0.992 . . . . 0.0 111.088 -178.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.409 ' HD3' ' CD2' ' A' ' 78' ' ' LEU . 28.3 mtm180 -59.79 -84.56 0.01 OUTLIER 'General case' 0 N--CA 1.441 -0.889 0 C-N-CA 129.762 3.225 . . . . 0.0 113.268 -170.749 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -102.15 119.31 56.95 Favored Pre-proline 0 CA--C 1.518 -0.28 0 CA-C-O 115.348 -2.263 . . . . 0.0 106.805 162.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -61.09 -25.89 81.93 Favored 'Trans proline' 0 C--N 1.352 0.716 1 C-N-CA 126.667 4.911 . . . . 0.0 115.877 -176.508 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.43 ' O ' ' HB3' ' A' ' 102' ' ' ARG . 8.3 mp0 -62.83 -40.55 97.76 Favored 'General case' 0 C--N 1.374 1.64 0 C-N-CA 124.715 1.206 . . . . 0.0 109.263 166.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.459 HG22 HD12 ' A' ' 100' ' ' ILE . 0.8 OUTLIER -62.97 -28.0 69.79 Favored 'General case' 0 C--O 1.214 -0.809 0 O-C-N 118.429 -2.669 . . . . 0.0 115.484 172.839 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.459 HD12 HG22 ' A' ' 99' ' ' THR . 1.8 mp -75.4 -50.54 23.74 Favored 'Isoleucine or valine' 0 C--N 1.362 1.119 0 C-N-CA 128.063 2.545 . . . . 0.0 112.6 168.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -76.01 -41.25 51.62 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 126.166 1.787 . . . . 0.0 114.566 -178.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.43 ' HB3' ' O ' ' A' ' 98' ' ' GLU 0.396 0.0 OUTLIER -71.45 -33.96 69.81 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 126.232 1.813 . . . . 0.0 112.216 179.944 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.448 ' HB2' ' O ' ' A' ' 99' ' ' THR . 4.1 tp60 -60.45 -35.95 77.05 Favored 'General case' 0 C--N 1.359 1.002 0 C-N-CA 126.191 1.796 . . . . 0.0 115.65 169.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.415 HD22 ' O ' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -81.72 -56.51 3.95 Favored 'General case' 0 C--N 1.359 0.988 0 C-N-CA 124.563 1.145 . . . . 0.0 112.465 172.238 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 . . . . . 0 C--N 1.367 1.34 0 N-CA-C 116.909 2.188 . . . . 0.0 116.909 -174.906 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.483 -1.929 0 N-CA-C 109.359 -1.496 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -88.5 -67.52 0.83 Allowed 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 125.986 1.714 . . . . 0.0 115.139 -176.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.67 52.35 0.99 Allowed 'General case' 0 C--N 1.359 1.002 0 C-N-CA 126.509 1.924 . . . . 0.0 116.076 -174.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -88.02 -23.18 23.86 Favored 'General case' 0 C--N 1.363 1.194 0 C-N-CA 127.403 2.281 . . . . 0.0 115.244 -177.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.7 mm? 71.59 -59.47 0.55 Allowed 'General case' 0 C--N 1.364 1.22 0 C-N-CA 127.83 2.452 . . . . 0.0 113.501 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . 0.33 0.6 OUTLIER 68.17 -60.97 0.4 Allowed 'General case' 0 C--N 1.358 0.978 0 C-N-CA 129.364 3.066 . . . . 0.0 117.293 175.846 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.319 53.2 mt 69.54 -31.95 0.22 Allowed 'General case' 0 C--N 1.359 1.003 0 C-N-CA 129.824 3.25 . . . . 0.0 118.097 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 82.1 14.18 0.52 Allowed 'General case' 0 C--N 1.355 0.81 0 N-CA-C 116.82 2.156 . . . . 0.0 116.82 168.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.0 t -85.32 54.63 3.18 Favored 'General case' 0 C--N 1.361 1.067 0 C-N-CA 127.17 2.188 . . . . 0.0 114.283 -177.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -118.74 -170.94 2.0 Allowed 'General case' 0 C--N 1.353 0.73 0 C-N-CA 126.571 1.948 . . . . 0.0 111.665 -177.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 63.0 69.73 0.82 Allowed Pre-proline 0 C--N 1.363 1.155 0 C-N-CA 129.197 2.999 . . . . 0.0 117.185 173.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -79.93 -17.0 11.05 Favored 'Trans proline' 0 CA--C 1.546 1.102 0 C-N-CA 125.137 3.891 . . . . 0.0 115.469 -176.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -78.29 3.71 14.74 Favored 'General case' 0 C--N 1.36 1.053 0 C-N-CA 126.915 2.086 . . . . 0.0 116.323 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -112.87 -6.43 13.8 Favored 'General case' 0 C--N 1.357 0.929 0 C-N-CA 126.372 1.869 . . . . 0.0 112.114 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -109.4 20.8 17.83 Favored 'General case' 0 C--N 1.362 1.133 0 O-C-N 120.272 -1.518 . . . . 0.0 110.065 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 18.0 tpt -62.28 -31.0 71.52 Favored 'General case' 0 C--N 1.378 1.832 0 C-N-CA 128.546 2.738 . . . . 0.0 113.557 177.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -64.85 -52.57 55.94 Favored 'General case' 0 C--N 1.361 1.091 0 O-C-N 119.627 -1.92 . . . . 0.0 111.923 173.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -71.08 -53.26 15.26 Favored 'General case' 0 C--N 1.359 0.986 0 N-CA-C 117.226 2.306 . . . . 0.0 117.226 174.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -73.79 -35.42 64.92 Favored 'General case' 0 C--N 1.363 1.193 0 C-N-CA 124.889 1.276 . . . . 0.0 113.48 -176.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . 0.29 5.2 t -72.55 -30.45 64.45 Favored 'General case' 0 C--N 1.374 1.655 0 O-C-N 121.16 -0.962 . . . . 0.0 113.093 173.038 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -70.55 -50.43 37.6 Favored 'General case' 0 C--N 1.371 1.539 0 CA-C-N 119.093 0.861 . . . . 0.0 112.641 172.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -66.83 -39.28 87.61 Favored 'General case' 0 C--N 1.37 1.476 0 C-N-CA 125.28 1.432 . . . . 0.0 113.951 175.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -71.2 -53.12 15.54 Favored 'General case' 0 C--N 1.372 1.556 0 CA-C-O 116.772 -1.585 . . . . 0.0 112.237 173.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.611 HH11 HD12 ' A' ' 28' ' ' LEU 0.361 34.6 ttp85 -70.81 -28.77 64.88 Favored 'General case' 0 C--N 1.373 1.592 0 CA-C-N 123.86 3.027 . . . . 0.0 115.415 177.518 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -64.89 -51.75 60.23 Favored 'General case' 0 C--N 1.37 1.471 0 O-C-N 119.074 -2.266 . . . . 0.0 113.762 174.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -77.17 -37.78 53.07 Favored 'General case' 0 C--N 1.354 0.761 0 N-CA-C 114.439 1.274 . . . . 0.0 114.439 175.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -69.09 -47.6 64.8 Favored 'General case' 0 C--N 1.365 1.28 0 CA-C-N 121.171 1.805 . . . . 0.0 112.447 178.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.698 HD11 HD22 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -66.8 -34.37 77.68 Favored 'General case' 0 C--N 1.368 1.378 0 C-N-CA 125.336 1.454 . . . . 0.0 112.865 176.062 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.02 -44.81 72.0 Favored 'General case' 0 C--N 1.384 2.09 0 N-CA-C 113.137 0.792 . . . . 0.0 113.137 170.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.62 -38.13 88.55 Favored 'General case' 0 C--N 1.364 1.22 0 C-N-CA 127.151 2.181 . . . . 0.0 114.419 177.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.58 -39.54 91.74 Favored 'General case' 0 C--N 1.363 1.179 0 C-N-CA 130.513 3.525 . . . . 0.0 110.262 171.286 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.497 ' HD2' HE22 ' A' ' 103' ' ' GLN . 41.8 mtm180 -74.98 -47.41 29.45 Favored 'General case' 0 N--CA 1.44 -0.941 0 N-CA-C 116.785 2.143 . . . . 0.0 116.785 176.194 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.419 ' O ' HD22 ' A' ' 104' ' ' LEU 0.322 10.3 ptt180 -72.97 -46.45 52.28 Favored 'General case' 0 CA--C 1.477 -1.847 0 N-CA-C 119.704 3.224 . . . . 0.0 119.704 172.085 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -83.59 -20.99 32.74 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 114.009 1.115 . . . . 0.0 114.009 -173.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -120.16 -40.06 2.75 Favored 'General case' 0 C--N 1.364 1.208 0 CA-C-O 118.148 -0.93 . . . . 0.0 113.234 -175.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.23 -118.23 4.65 Favored Glycine 0 C--N 1.39 3.569 0 CA-C-N 123.182 2.719 . . . . 0.0 110.595 -172.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.461 HG21 ' HB3' ' A' ' 94' ' ' ASP . 29.7 p -131.56 108.99 9.93 Favored 'General case' 0 C--N 1.351 0.641 0 N-CA-C 102.78 -3.045 . . . . 0.0 102.78 169.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -137.61 145.76 43.15 Favored 'General case' 0 CA--C 1.498 -1.022 0 C-N-CA 125.175 1.39 . . . . 0.0 108.34 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.33 108.37 8.06 Favored 'General case' 0 C--N 1.365 1.265 0 CA-C-O 123.353 1.549 . . . . 0.0 108.071 168.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.5 p -144.84 154.82 14.29 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.681 0 C-N-CA 125.285 1.434 . . . . 0.0 107.479 -168.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 62.2 t-80 -88.69 123.85 33.53 Favored 'General case' 0 C--N 1.358 0.965 0 C-N-CA 124.844 1.258 . . . . 0.0 110.944 -177.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.0 m-20 -52.64 -30.89 34.0 Favored 'General case' 0 C--N 1.365 1.258 0 N-CA-C 117.61 2.448 . . . . 0.0 117.61 -177.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -69.01 -28.16 66.33 Favored 'General case' 0 C--N 1.371 1.516 0 O-C-N 120.461 -1.4 . . . . 0.0 112.16 173.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.2 mt -72.13 -39.04 64.7 Favored 'Isoleucine or valine' 0 C--N 1.37 1.46 0 C-N-CA 126.636 1.975 . . . . 0.0 110.592 173.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.8 m -73.11 -41.16 59.02 Favored 'Isoleucine or valine' 0 C--N 1.363 1.192 0 C-N-CA 125.376 1.471 . . . . 0.0 111.249 177.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -61.3 -50.72 71.85 Favored 'General case' 0 C--N 1.381 1.977 0 C-N-CA 129.156 2.982 . . . . 0.0 112.35 175.192 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -66.95 -26.77 66.99 Favored 'General case' 0 C--N 1.363 1.189 0 C-N-CA 128.616 2.767 . . . . 0.0 112.779 176.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -75.23 -48.85 21.48 Favored 'General case' 0 C--N 1.355 0.807 0 C-N-CA 125.004 1.322 . . . . 0.0 112.037 172.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.476 ' CE2' HG23 ' A' ' 50' ' ' ILE . 0.4 OUTLIER -56.69 -52.42 65.01 Favored 'General case' 0 C--N 1.369 1.414 0 C-N-CA 130.796 3.638 . . . . 0.0 112.676 177.623 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.476 HG23 ' CE2' ' A' ' 49' ' ' TYR . 4.2 pt -72.02 -2.94 3.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 N-CA-C 120.951 3.686 . . . . 0.0 120.951 -178.481 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 96.1 p -71.82 -9.72 58.72 Favored 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 126.858 2.063 . . . . 0.0 113.544 175.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 45.5 m-70 -95.36 -153.34 0.39 Allowed 'General case' 0 CA--C 1.557 1.242 0 C-N-CA 131.248 3.819 . . . . 0.0 109.679 175.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.02 -43.14 93.41 Favored 'General case' 0 C--N 1.374 1.669 0 O-C-N 118.607 -2.558 . . . . 0.0 116.71 -178.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -62.36 11.5 0.02 OUTLIER 'General case' 0 CA--C 1.497 -1.094 1 C-N-CA 137.674 6.39 . . . . 0.0 120.952 -168.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.47 ' HD2' ' HB ' ' A' ' 50' ' ' ILE 0.332 38.2 t-80 -45.76 87.06 0.0 OUTLIER 'General case' 0 C--N 1.365 1.282 0 N-CA-C 118.517 2.784 . . . . 0.0 118.517 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.419 ' O ' HG21 ' A' ' 50' ' ' ILE . 65.0 mt -119.35 143.58 30.28 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.048 1 C-N-CA 132.638 4.375 . . . . 0.0 104.67 178.013 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.504 ' CG ' HD22 ' A' ' 59' ' ' ASN . 2.5 t-160 -108.29 152.35 24.74 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 105.623 -1.991 . . . . 0.0 105.623 169.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.99 -25.05 7.52 Favored 'General case' 0 N--CA 1.495 1.793 0 C-N-CA 127.632 2.373 . . . . 0.0 116.961 -178.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.504 HD22 ' CG ' ' A' ' 57' ' ' HIS . 13.8 m-80 -73.35 -14.86 61.37 Favored 'General case' 0 CA--C 1.574 1.879 1 C-N-CA 132.772 4.429 . . . . 0.0 111.448 -177.175 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -80.51 -1.75 43.11 Favored 'General case' 0 C--N 1.386 2.191 0 C-N-CA 129.015 2.926 . . . . 0.0 115.309 172.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 7.4 p -101.58 175.87 5.42 Favored 'General case' 0 C--N 1.351 0.64 0 C-N-CA 128.806 2.842 . . . . 0.0 110.885 -177.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -87.29 0.04 56.0 Favored 'General case' 0 C--N 1.369 1.431 0 O-C-N 120.14 -1.6 . . . . 0.0 113.062 173.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 1.9 m-90 -91.52 105.79 18.01 Favored 'General case' 0 C--N 1.36 1.032 0 C-N-CA 127.674 2.389 . . . . 0.0 107.149 177.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -74.63 -11.5 60.21 Favored 'General case' 0 C--N 1.362 1.131 0 C-N-CA 126.929 2.092 . . . . 0.0 115.259 -177.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 33.9 p -141.01 160.35 40.28 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 103.11 -2.922 . . . . 0.0 103.11 -178.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.9 tp -71.33 -26.29 62.77 Favored 'General case' 0 C--N 1.37 1.479 0 O-C-N 119.913 -1.742 . . . . 0.0 111.532 176.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.61 HG23 ' CZ2' ' A' ' 88' ' ' TRP . 41.5 m -57.87 -42.95 85.61 Favored 'General case' 0 CA--C 1.49 -1.341 1 C-N-CA 134.02 4.928 . . . . 0.0 110.664 179.434 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.96 -26.87 62.44 Favored 'General case' 0 C--N 1.356 0.856 0 C-N-CA 127.045 2.138 . . . . 0.0 116.583 174.084 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.423 ' CZ ' HD22 ' A' ' 73' ' ' LEU . 3.8 t80 -73.75 -37.09 65.17 Favored 'General case' 0 C--N 1.366 1.293 0 C-N-CA 126.767 2.027 . . . . 0.0 108.764 172.134 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.492 ' HB ' HG21 ' A' ' 81' ' ' VAL . 0.9 OUTLIER -71.65 -36.29 70.66 Favored 'General case' 0 C--N 1.36 1.06 0 C-N-CA 126.489 1.916 . . . . 0.0 111.164 174.215 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.9 mmtt -63.33 -36.62 84.3 Favored 'General case' 0 C--N 1.378 1.831 0 N-CA-C 115.673 1.731 . . . . 0.0 115.673 169.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 91.6 t90 -81.09 -54.64 5.37 Favored 'General case' 0 C--N 1.364 1.239 0 C-N-CA 126.067 1.747 . . . . 0.0 114.121 178.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.423 HD22 ' CZ ' ' A' ' 69' ' ' PHE . 0.6 OUTLIER -65.45 -35.16 80.1 Favored 'General case' 0 C--N 1.364 1.196 0 C-N-CA 128.329 2.652 . . . . 0.0 116.31 -179.63 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -62.44 -26.92 68.67 Favored Glycine 0 C--N 1.363 2.062 0 C-N-CA 128.781 3.086 . . . . 0.0 114.325 169.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 -83.17 -19.71 36.06 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 126.417 1.887 . . . . 0.0 116.013 -176.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -87.7 -17.63 31.33 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 124.994 1.318 . . . . 0.0 113.345 -174.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 93.0 25.58 19.33 Favored Glycine 0 C--N 1.367 2.291 0 CA-C-O 122.262 0.923 . . . . 0.0 110.796 -177.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.698 HD22 HD11 ' A' ' 28' ' ' LEU . 0.3 OUTLIER -109.01 -35.82 6.24 Favored 'General case' 0 CA--C 1.481 -1.679 0 C-N-CA 124.197 0.999 . . . . 0.0 109.649 176.268 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 92' ' ' TYR . 34.8 m -131.34 153.11 49.96 Favored 'General case' 0 C--N 1.345 0.401 0 N-CA-C 116.405 2.002 . . . . 0.0 116.405 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.2 tptm -111.25 144.21 40.78 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 128.84 2.856 . . . . 0.0 105.795 172.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.544 HG22 HG22 ' A' ' 90' ' ' ILE . 0.1 OUTLIER -135.46 145.85 30.98 Favored 'Isoleucine or valine' 0 C--N 1.351 0.65 0 O-C-N 118.735 -2.478 . . . . 0.0 112.669 -173.399 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -145.16 153.09 41.01 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 125.3 1.44 . . . . 0.0 110.421 174.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -122.42 138.84 54.41 Favored 'General case' 0 C--N 1.367 1.358 0 O-C-N 120.044 -1.66 . . . . 0.0 109.815 177.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.438 ' HB ' ' CD ' ' A' ' 85' ' ' PRO . 30.6 p -124.99 175.6 2.92 Favored Pre-proline 0 CA--C 1.496 -1.108 0 C-N-CA 128.284 2.634 . . . . 0.0 110.032 -176.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.438 ' CD ' ' HB ' ' A' ' 84' ' ' THR . 28.1 Cg_exo -68.04 -4.25 12.18 Favored 'Trans proline' 0 N--CA 1.44 -1.619 0 N-CA-C 117.968 2.257 . . . . 0.0 117.968 165.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -117.73 18.73 14.06 Favored 'General case' 0 C--N 1.36 1.055 0 C-N-CA 126.069 1.748 . . . . 0.0 112.284 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 128.31 -161.01 22.13 Favored Glycine 0 C--N 1.365 2.164 0 N-CA-C 117.358 1.703 . . . . 0.0 117.358 177.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.61 ' CZ2' HG23 ' A' ' 67' ' ' THR . 12.1 m95 -109.74 115.92 30.74 Favored 'General case' 0 C--N 1.364 1.237 0 C-N-CA 127.838 2.455 . . . . 0.0 107.097 177.218 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -115.03 128.26 56.15 Favored 'General case' 0 CA--C 1.498 -1.053 0 C-N-CA 126.809 2.044 . . . . 0.0 106.217 -175.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.544 HG22 HG22 ' A' ' 81' ' ' VAL . 3.2 pt -114.75 140.53 35.35 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.998 0 C-N-CA 126.682 1.993 . . . . 0.0 107.376 178.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.52 117.52 30.59 Favored 'General case' 0 N--CA 1.437 -1.104 0 N-CA-C 100.98 -3.711 . . . . 0.0 100.98 170.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.428 ' HA ' ' HA ' ' A' ' 79' ' ' CYS 0.614 0.0 OUTLIER -77.23 149.67 35.46 Favored 'General case' 0 CA--C 1.554 1.112 0 O-C-N 119.701 -1.874 . . . . 0.0 112.278 -179.656 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . 0.252 2.2 mm -85.73 123.16 39.24 Favored 'Isoleucine or valine' 0 C--N 1.351 0.648 0 C-N-CA 131.354 3.862 . . . . 0.0 107.02 -176.156 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.461 ' HB3' HG21 ' A' ' 37' ' ' THR 0.356 11.6 p-10 -74.36 34.37 0.09 Allowed 'General case' 0 C--N 1.363 1.163 0 N-CA-C 119.554 3.168 . . . . 0.0 119.554 -172.286 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.424 ' HD3' HD23 ' A' ' 78' ' ' LEU . 12.8 mmm180 23.16 -101.37 0.01 OUTLIER 'General case' 0 C--N 1.361 1.071 1 C-N-CA 133.845 4.858 . . . . 0.0 115.689 176.343 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -103.03 113.73 65.69 Favored Pre-proline 0 CA--C 1.512 -0.519 0 CA-C-O 116.248 -1.834 . . . . 0.0 106.123 159.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_exo -64.51 -29.82 61.67 Favored 'Trans proline' 0 C--N 1.359 1.101 0 C-N-CA 125.175 3.916 . . . . 0.0 114.791 -172.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -63.79 -23.6 67.43 Favored 'General case' 0 C--N 1.357 0.919 0 C-N-CA 126.136 1.774 . . . . 0.0 111.22 170.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.475 HG23 ' NE2' ' A' ' 103' ' ' GLN . 0.4 OUTLIER -76.64 -40.15 50.08 Favored 'General case' 0 C--N 1.366 1.313 0 O-C-N 119.896 -1.752 . . . . 0.0 111.157 169.436 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 34.0 mm -66.46 -49.64 73.69 Favored 'Isoleucine or valine' 0 C--N 1.367 1.345 0 C-N-CA 131.403 3.881 . . . . 0.0 110.516 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 64.0 mmt-85 -72.62 -29.85 63.82 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 127.705 2.402 . . . . 0.0 113.45 177.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -78.65 -29.14 45.62 Favored 'General case' 0 C--N 1.377 1.79 0 O-C-N 120.047 -1.658 . . . . 0.0 111.294 174.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.497 HE22 ' HD2' ' A' ' 32' ' ' ARG . 10.0 mt-30 -62.86 -59.38 4.93 Favored 'General case' 0 C--N 1.36 1.022 0 C-N-CA 127.175 2.19 . . . . 0.0 112.243 169.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.419 HD22 ' O ' ' A' ' 33' ' ' ARG 0.29 0.1 OUTLIER -48.69 -58.22 5.09 Favored 'General case' 0 CA--C 1.536 0.414 1 C-N-CA 133.972 4.909 . . . . 0.0 116.621 173.014 . . . . . . . . 5 4 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -85.36 -58.87 2.5 Favored 'General case' 0 C--N 1.364 1.237 0 N-CA-C 118.916 2.932 . . . . 0.0 118.916 178.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 5.3 mt -83.34 -46.15 12.93 Favored 'General case' 0 C--N 1.364 1.232 0 N-CA-C 117.358 2.355 . . . . 0.0 117.358 -168.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -62.72 -16.27 56.69 Favored 'General case' 0 C--N 1.374 1.638 0 C-N-CA 127.163 2.185 . . . . 0.0 113.66 -177.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -71.84 -22.5 61.53 Favored 'General case' 0 C--N 1.353 0.761 0 C-N-CA 129.07 2.948 . . . . 0.0 114.367 174.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -84.24 -15.63 46.13 Favored 'General case' 0 C--N 1.361 1.088 0 C-N-CA 128.181 2.592 . . . . 0.0 113.272 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 17.4 pttp -120.45 -46.74 2.37 Favored 'General case' 0 C--N 1.355 0.814 0 C-N-CA 126.391 1.876 . . . . 0.0 110.534 -179.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.361 1.09 0 N-CA-C 106.562 -1.644 . . . . 0.0 106.562 175.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.493 -1.315 0 N-CA-C 109.292 -1.523 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -83.44 -41.31 18.23 Favored 'General case' 0 C--N 1.357 0.927 0 C-N-CA 126.202 1.801 . . . . 0.0 113.373 177.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 29.5 ttt85 -167.29 -179.8 4.68 Favored 'General case' 0 N--CA 1.442 -0.867 0 N-CA-C 105.692 -1.966 . . . . 0.0 105.692 -172.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . 0.435 3.3 pt20 66.49 -67.88 0.15 Allowed 'General case' 0 C--N 1.358 0.945 0 C-N-CA 129.394 3.078 . . . . 0.0 117.535 -178.217 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.253 7.8 mt 72.55 55.89 0.14 Allowed 'General case' 0 C--N 1.356 0.887 0 C-N-CA 129.797 3.239 . . . . 0.0 110.765 -178.446 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -98.52 -173.17 2.48 Favored 'General case' 0 C--N 1.355 0.83 0 C-N-CA 127.266 2.227 . . . . 0.0 115.124 -171.333 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -110.29 11.24 23.49 Favored 'General case' 0 C--N 1.361 1.07 0 C-N-CA 125.501 1.52 . . . . 0.0 112.573 179.604 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 72.64 50.28 0.18 Allowed 'General case' 0 C--N 1.354 0.794 0 C-N-CA 126.904 2.082 . . . . 0.0 116.121 172.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.7 t -163.49 146.12 9.95 Favored 'General case' 0 C--N 1.354 0.781 0 N-CA-C 104.446 -2.427 . . . . 0.0 104.446 177.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -170.2 162.24 8.67 Favored 'General case' 0 C--N 1.355 0.825 0 N-CA-C 101.009 -3.7 . . . . 0.0 101.009 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -111.86 101.49 51.58 Favored Pre-proline 0 C--N 1.35 0.588 0 C-N-CA 125.311 1.445 . . . . 0.0 108.229 177.432 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -82.49 47.62 2.53 Favored 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 124.355 3.37 . . . . 0.0 111.425 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -70.81 67.95 0.4 Allowed 'General case' 0 C--N 1.368 1.409 0 C-N-CA 128.163 2.585 . . . . 0.0 112.293 177.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . 0.296 31.7 mt-30 77.12 39.2 0.21 Allowed 'General case' 0 C--N 1.362 1.149 1 C-N-CA 132.196 4.199 . . . . 0.0 110.523 -173.602 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . 0.294 5.6 m-85 67.84 24.77 8.06 Favored 'General case' 0 C--N 1.369 1.421 1 C-N-CA 133.332 4.653 . . . . 0.0 113.387 -179.792 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.411 ' HE1' ' CZ2' ' A' ' 72' ' ' TRP . 1.6 tmt? -55.5 -54.16 47.4 Favored 'General case' 0 C--N 1.373 1.607 0 C-N-CA 128.21 2.604 . . . . 0.0 114.985 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.38 -22.07 61.19 Favored 'General case' 0 C--N 1.364 1.235 0 CA-C-N 123.628 2.922 . . . . 0.0 114.517 178.245 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -71.44 -54.01 12.07 Favored 'General case' 0 C--N 1.368 1.371 0 C-N-CA 124.805 1.242 . . . . 0.0 113.661 170.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -74.59 -37.68 62.84 Favored 'General case' 0 C--N 1.365 1.271 0 C-N-CA 126.673 1.989 . . . . 0.0 114.22 177.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . 0.467 1.5 m -72.61 -28.18 62.62 Favored 'General case' 0 CA--C 1.489 -1.381 0 C-N-CA 126.945 2.098 . . . . 0.0 114.648 177.404 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.434 ' O ' ' HB2' ' A' ' 25' ' ' ASN . 35.3 tt0 -68.93 -49.11 60.9 Favored 'General case' 0 C--N 1.37 1.463 0 CA-C-N 120.15 1.341 . . . . 0.0 110.471 170.043 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -66.7 -34.09 77.08 Favored 'General case' 0 C--N 1.368 1.409 0 C-N-CA 125.41 1.484 . . . . 0.0 114.984 176.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.408 ' CZ ' ' CE1' ' A' ' 46' ' ' TYR . 8.1 t80 -73.79 -53.44 10.27 Favored 'General case' 0 C--N 1.366 1.296 0 O-C-N 119.384 -2.072 . . . . 0.0 111.027 170.057 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.468 HH12 ' HD1' ' A' ' 27' ' ' PHE 0.406 0.1 OUTLIER -70.6 -36.55 73.58 Favored 'General case' 0 C--N 1.36 1.03 0 N-CA-C 118.327 2.714 . . . . 0.0 118.327 -176.564 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 0.7 OUTLIER -66.04 -51.3 59.49 Favored 'General case' 0 C--N 1.366 1.309 0 O-C-N 119.843 -1.786 . . . . 0.0 114.811 177.35 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -73.5 -39.39 64.86 Favored 'General case' 0 C--N 1.35 0.605 0 C-N-CA 125.459 1.503 . . . . 0.0 112.164 175.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.468 ' HD1' HH12 ' A' ' 24' ' ' ARG . 25.6 t80 -67.99 -40.13 83.12 Favored 'General case' 0 C--N 1.375 1.682 0 CA-C-N 120.84 1.654 . . . . 0.0 113.248 175.681 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.569 HD11 HD22 ' A' ' 78' ' ' LEU 0.313 0.9 OUTLIER -65.26 -37.79 88.31 Favored 'General case' 0 C--N 1.38 1.924 0 CA-C-N 122.179 2.263 . . . . 0.0 112.703 172.749 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -60.19 -51.69 68.51 Favored 'General case' 0 C--N 1.38 1.907 0 CA-C-N 120.73 1.605 . . . . 0.0 113.707 168.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.4 tp -56.91 -43.13 81.09 Favored 'General case' 0 C--N 1.363 1.188 0 C-N-CA 129.167 2.987 . . . . 0.0 114.561 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.415 HD11 ' HB2' ' A' ' 92' ' ' TYR . 3.8 tt -64.32 -53.05 54.91 Favored 'General case' 0 C--N 1.369 1.417 0 C-N-CA 130.956 3.703 . . . . 0.0 110.557 175.08 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 84.1 mtm180 -63.63 -46.26 86.5 Favored 'General case' 0 C--N 1.363 1.154 0 N-CA-C 116.69 2.108 . . . . 0.0 116.69 174.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . 0.266 6.6 ptt-85 -71.98 -54.32 10.32 Favored 'General case' 0 C--N 1.371 1.51 0 N-CA-C 117.319 2.34 . . . . 0.0 117.319 172.355 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -83.05 -24.01 32.94 Favored 'General case' 0 C--N 1.355 0.808 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 -167.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -120.23 -35.33 3.47 Favored 'General case' 0 C--N 1.36 1.04 0 C-N-CA 124.648 1.179 . . . . 0.0 111.764 -175.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 75.66 -115.7 4.64 Favored Glycine 0 C--N 1.383 3.148 0 O-C-N 119.506 -1.996 . . . . 0.0 111.257 -168.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.0 p -124.18 107.84 11.66 Favored 'General case' 0 N--CA 1.437 -1.124 0 N-CA-C 102.544 -3.132 . . . . 0.0 102.544 172.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.0 ttmt -147.34 141.52 26.13 Favored 'General case' 0 CA--C 1.508 -0.659 0 C-N-CA 124.701 1.201 . . . . 0.0 108.925 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.53 108.29 4.25 Favored 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 126.234 1.814 . . . . 0.0 109.769 173.452 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.4 p -151.91 154.94 7.4 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.276 0 O-C-N 118.898 -2.376 . . . . 0.0 107.805 -170.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.425 ' HE1' ' HG ' ' A' ' 66' ' ' LEU 0.256 3.9 t-80 -79.83 125.48 29.75 Favored 'General case' 0 C--N 1.375 1.695 0 CA-C-O 124.408 2.051 . . . . 0.0 107.673 174.587 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -57.28 -22.55 42.37 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 112.756 -2.02 . . . . 0.0 113.763 177.056 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -75.14 -28.04 59.99 Favored 'General case' 0 C--N 1.368 1.389 0 O-C-N 120.441 -1.412 . . . . 0.0 111.862 176.003 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 66.3 mt -69.05 -46.3 78.71 Favored 'Isoleucine or valine' 0 C--N 1.367 1.339 0 C-N-CA 127.549 2.34 . . . . 0.0 109.07 173.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.1 m -68.83 -32.64 55.57 Favored 'Isoleucine or valine' 0 C--N 1.361 1.101 0 C-N-CA 127.215 2.206 . . . . 0.0 112.658 176.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.408 ' CE1' ' CZ ' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -62.79 -51.8 65.67 Favored 'General case' 0 C--N 1.383 2.032 0 C-N-CA 127.284 2.234 . . . . 0.0 110.457 177.315 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -60.78 -30.32 69.97 Favored 'General case' 0 C--N 1.363 1.183 0 C-N-CA 129.562 3.145 . . . . 0.0 114.463 176.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -74.78 -43.82 52.82 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.35 1.46 . . . . 0.0 112.749 173.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -66.86 -52.4 43.97 Favored 'General case' 0 C--N 1.362 1.123 0 C-N-CA 130.157 3.383 . . . . 0.0 112.512 177.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.52 ' HB ' ' CD2' ' A' ' 55' ' ' HIS . 9.2 pt -73.05 -10.03 13.56 Favored 'Isoleucine or valine' 0 C--N 1.359 1.019 0 N-CA-C 116.529 2.048 . . . . 0.0 116.529 -177.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.3 m -84.86 51.79 2.25 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 127.16 2.184 . . . . 0.0 109.641 174.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 30.1 m-70 -150.54 -150.74 0.36 Allowed 'General case' 0 C--N 1.349 0.562 0 N-CA-C 101.55 -3.5 . . . . 0.0 101.55 -175.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.81 -39.98 69.48 Favored 'General case' 0 C--N 1.367 1.335 0 O-C-N 118.729 -2.482 . . . . 0.0 115.533 177.402 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -61.61 12.23 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.562 1 C-N-CA 133.783 4.833 . . . . 0.0 121.201 -173.253 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.52 ' CD2' ' HB ' ' A' ' 50' ' ' ILE 0.492 2.5 t-160 -41.9 68.13 0.0 OUTLIER 'General case' 0 C--N 1.369 1.454 1 N-CA-C 122.623 4.305 . . . . 0.0 122.623 -172.165 . . . . . . . . 4 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.418 HG21 HD13 ' A' ' 56' ' ' ILE . 25.4 mt -87.89 175.21 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.791 1 C-N-CA 134.2 5.0 . . . . 0.0 110.425 177.429 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 22.1 t-160 -133.97 156.51 48.03 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 127.596 2.358 . . . . 0.0 105.231 167.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.507 ' HB3' HD22 ' A' ' 59' ' ' ASN . 0.0 OUTLIER -59.84 -25.22 64.83 Favored 'General case' 0 C--N 1.361 1.074 0 C-N-CA 128.746 2.818 . . . . 0.0 115.446 177.001 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.507 HD22 ' HB3' ' A' ' 58' ' ' MET 0.252 1.0 OUTLIER -86.16 1.68 49.72 Favored 'General case' 0 CA--C 1.566 1.583 0 C-N-CA 127.236 2.214 . . . . 0.0 112.822 -179.542 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -85.05 10.66 11.37 Favored 'General case' 0 C--N 1.389 2.305 0 C-N-CA 128.923 2.889 . . . . 0.0 112.809 169.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 10.4 p -115.66 175.3 5.59 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 127.879 2.471 . . . . 0.0 110.796 -176.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -85.08 2.41 43.51 Favored 'General case' 0 C--N 1.373 1.597 0 C-N-CA 126.951 2.1 . . . . 0.0 112.791 174.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.46 ' CD2' ' HB2' ' A' ' 69' ' ' PHE . 2.5 m-90 -99.73 107.38 19.45 Favored 'General case' 0 N--CA 1.438 -1.074 0 C-N-CA 130.09 3.356 . . . . 0.0 106.827 -178.283 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -65.05 -24.51 67.49 Favored 'General case' 0 C--N 1.367 1.368 0 C-N-CA 128.919 2.888 . . . . 0.0 115.299 -174.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.3 t -151.02 172.32 15.91 Favored 'General case' 0 N--CA 1.441 -0.896 0 N-CA-C 101.433 -3.543 . . . . 0.0 101.433 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.425 ' HG ' ' HE1' ' A' ' 41' ' ' HIS . 6.0 tp -62.1 -26.14 68.12 Favored 'General case' 0 C--N 1.366 1.305 0 C-N-CA 127.726 2.411 . . . . 0.0 112.298 179.031 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.658 HG23 ' CZ2' ' A' ' 88' ' ' TRP . 5.9 m -56.7 -49.45 75.08 Favored 'General case' 0 C--N 1.361 1.066 0 C-N-CA 128.062 2.545 . . . . 0.0 115.888 -179.468 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.363 86.8 m-20 -73.02 -25.72 61.06 Favored 'General case' 0 C--N 1.355 0.832 0 N-CA-C 117.13 2.27 . . . . 0.0 117.13 177.646 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.46 ' HB2' ' CD2' ' A' ' 63' ' ' TRP . 3.4 t80 -73.45 -38.94 65.31 Favored 'General case' 0 C--N 1.35 0.604 0 C-N-CA 127.09 2.156 . . . . 0.0 110.612 172.111 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.777 HG21 ' CE3' ' A' ' 88' ' ' TRP . 0.5 OUTLIER -69.87 -34.39 73.51 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 129.167 2.987 . . . . 0.0 110.557 175.583 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 45.1 mmtt -63.29 -46.51 86.44 Favored 'General case' 0 C--N 1.383 2.026 0 C-N-CA 124.519 1.128 . . . . 0.0 113.054 169.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.411 ' CZ2' ' HE1' ' A' ' 16' ' ' MET . 79.1 t90 -69.9 -53.87 16.0 Favored 'General case' 0 C--N 1.375 1.697 0 C-N-CA 126.682 1.993 . . . . 0.0 114.645 177.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.0 -35.96 82.87 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 129.269 3.027 . . . . 0.0 115.077 -179.564 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -63.84 -27.4 71.13 Favored Glycine 0 C--N 1.363 2.069 0 C-N-CA 128.562 2.982 . . . . 0.0 113.92 168.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 28.2 ttt-85 -79.09 -21.58 46.5 Favored 'General case' 0 C--N 1.36 1.053 0 N-CA-C 114.371 1.248 . . . . 0.0 114.371 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -85.14 -20.19 30.65 Favored 'General case' 0 C--N 1.357 0.904 0 N-CA-C 115.122 1.527 . . . . 0.0 115.122 -171.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 96.39 19.21 28.51 Favored Glycine 0 C--N 1.363 2.063 0 N-CA-C 111.288 -0.725 . . . . 0.0 111.288 -177.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.569 HD22 HD11 ' A' ' 28' ' ' LEU . 1.9 mt -100.49 -42.21 6.67 Favored 'General case' 0 CA--C 1.476 -1.869 0 C-N-CA 124.627 1.171 . . . . 0.0 110.716 179.185 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 4.9 m -132.84 153.16 51.56 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-O 122.756 1.265 . . . . 0.0 114.354 -176.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.404 ' HD3' HD11 ' A' ' 93' ' ' ILE . 0.1 OUTLIER -107.74 143.16 36.66 Favored 'General case' 0 C--O 1.218 -0.588 0 C-N-CA 128.277 2.631 . . . . 0.0 106.921 175.611 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -132.08 143.85 38.87 Favored 'Isoleucine or valine' 0 C--N 1.349 0.547 0 O-C-N 118.359 -2.713 . . . . 0.0 113.743 -171.457 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -140.97 154.56 46.1 Favored 'General case' 0 C--N 1.367 1.351 0 C-N-CA 127.088 2.155 . . . . 0.0 110.555 177.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -128.18 139.56 52.41 Favored 'General case' 0 C--N 1.373 1.598 0 O-C-N 120.581 -1.324 . . . . 0.0 111.372 175.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.41 ' HB ' ' CD ' ' A' ' 85' ' ' PRO . 62.3 p -122.92 174.77 3.14 Favored Pre-proline 0 C--N 1.359 1.018 0 C-N-CA 130.394 3.478 . . . . 0.0 110.331 -177.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.41 ' CD ' ' HB ' ' A' ' 84' ' ' THR . 21.9 Cg_exo -68.58 -1.57 7.73 Favored 'Trans proline' 0 N--CA 1.444 -1.414 0 N-CA-C 118.118 2.315 . . . . 0.0 118.118 165.527 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -113.99 -3.62 13.32 Favored 'General case' 0 C--N 1.36 1.031 0 CA-C-N 120.363 1.438 . . . . 0.0 112.007 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 141.01 -167.83 25.53 Favored Glycine 0 C--N 1.364 2.088 0 O-C-N 120.637 -1.289 . . . . 0.0 114.637 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.777 ' CE3' HG21 ' A' ' 70' ' ' THR . 68.4 m95 -94.06 126.12 39.1 Favored 'General case' 0 C--N 1.367 1.366 0 C-N-CA 126.725 2.01 . . . . 0.0 109.905 175.447 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -114.16 126.17 54.77 Favored 'General case' 0 CA--C 1.497 -1.064 0 N-CA-C 103.276 -2.861 . . . . 0.0 103.276 -179.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.7 pt -114.41 137.23 48.44 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.116 0 N-CA-C 104.933 -2.247 . . . . 0.0 104.933 178.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -116.04 122.8 46.27 Favored 'General case' 0 CA--C 1.484 -1.563 0 N-CA-C 103.166 -2.902 . . . . 0.0 103.166 169.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.415 ' HB2' HD11 ' A' ' 31' ' ' LEU 0.389 5.8 t80 -73.49 147.04 44.45 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.398 1.479 . . . . 0.0 111.22 178.776 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.404 HD11 ' HD3' ' A' ' 80' ' ' LYS . 2.8 mt -89.49 120.44 38.23 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.897 1 C-N-CA 133.344 4.658 . . . . 0.0 105.554 -179.852 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . 0.345 13.6 p30 -79.89 91.33 5.38 Favored 'General case' 0 C--N 1.366 1.293 0 CA-C-N 121.009 1.731 . . . . 0.0 111.641 179.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.534 ' HD2' HD23 ' A' ' 78' ' ' LEU . 1.4 mmp_? -40.12 -85.82 0.0 OUTLIER 'General case' 0 C--N 1.356 0.854 1 C-N-CA 132.672 4.389 . . . . 0.0 114.517 176.706 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -102.75 103.92 35.8 Favored Pre-proline 0 CA--C 1.536 0.439 0 CA-C-O 113.523 -3.132 . . . . 0.0 105.656 160.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -56.12 -25.08 53.0 Favored 'Trans proline' 0 C--N 1.371 1.711 2 C-N-CA 127.121 5.214 . . . . 0.0 117.02 -177.352 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -61.21 -35.27 76.75 Favored 'General case' 0 C--N 1.368 1.385 0 C-N-CA 127.644 2.378 . . . . 0.0 110.008 167.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.49 HG22 HD12 ' A' ' 100' ' ' ILE 0.268 0.4 OUTLIER -67.76 -41.79 82.78 Favored 'General case' 0 C--N 1.367 1.35 0 O-C-N 119.477 -2.014 . . . . 0.0 112.303 170.914 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.49 HD12 HG22 ' A' ' 99' ' ' THR . 1.8 mp -65.85 -50.05 72.98 Favored 'Isoleucine or valine' 0 C--N 1.37 1.465 0 CA-C-N 121.805 2.093 . . . . 0.0 111.677 174.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 75.0 mtp180 -69.07 -27.79 65.94 Favored 'General case' 0 C--N 1.365 1.258 0 O-C-N 120.029 -1.67 . . . . 0.0 114.225 177.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 55.8 mtm180 -77.87 -38.18 46.54 Favored 'General case' 0 C--N 1.371 1.537 0 C-N-CA 124.668 1.187 . . . . 0.0 110.57 171.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . 0.357 35.7 mt-30 -61.62 -34.42 75.62 Favored 'General case' 0 C--N 1.375 1.698 0 C-N-CA 125.907 1.683 . . . . 0.0 115.037 175.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.55 -57.41 3.36 Favored 'General case' 0 C--N 1.357 0.915 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 173.493 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -83.48 -58.83 2.66 Favored 'General case' 0 C--N 1.365 1.273 0 N-CA-C 119.898 3.295 . . . . 0.0 119.898 -169.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -83.76 -49.4 9.13 Favored 'General case' 0 C--N 1.364 1.207 0 C-N-CA 128.743 2.817 . . . . 0.0 116.05 -173.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -64.97 -21.06 66.78 Favored 'General case' 0 C--N 1.371 1.514 0 C-N-CA 127.01 2.124 . . . . 0.0 113.373 -177.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -87.51 -1.96 58.29 Favored 'General case' 0 C--N 1.347 0.498 0 CA-C-N 113.152 -1.84 . . . . 0.0 115.003 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -80.94 64.53 5.73 Favored 'General case' 0 C--N 1.352 0.689 0 C-N-CA 127.946 2.498 . . . . 0.0 112.931 177.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -68.7 55.42 0.08 Allowed 'General case' 0 C--N 1.363 1.176 0 C-N-CA 128.851 2.86 . . . . 0.0 116.146 -175.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 65.4 tttm . . . . . 0 C--N 1.355 0.805 0 C-N-CA 125.933 1.693 . . . . 0.0 109.728 -179.512 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.491 -1.437 0 N-CA-C 109.827 -1.309 . . . . 0.0 109.827 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 60.0 mm-40 -128.56 145.47 51.12 Favored 'General case' 0 CA--C 1.506 -0.725 0 C-N-CA 126.006 1.722 . . . . 0.0 107.393 178.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 76.06 30.13 0.74 Allowed 'General case' 0 C--N 1.362 1.116 0 C-N-CA 126.965 2.106 . . . . 0.0 116.007 175.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 10.5 tp-100 -90.95 -46.59 8.08 Favored 'General case' 0 C--N 1.365 1.271 0 C-N-CA 124.79 1.236 . . . . 0.0 112.864 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.8 mt 81.21 48.55 0.02 OUTLIER 'General case' 0 C--N 1.368 1.39 0 C-N-CA 128.772 2.829 . . . . 0.0 109.091 -176.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -96.44 -38.62 9.96 Favored 'General case' 0 C--N 1.36 1.054 0 C-N-CA 126.083 1.753 . . . . 0.0 113.333 -170.491 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.373 3.3 pp 148.37 -23.43 0.0 OUTLIER 'General case' 0 CA--C 1.481 -1.695 1 C-N-CA 132.483 4.313 . . . . 0.0 107.979 -178.71 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 77.4 -47.15 0.49 Allowed 'General case' 0 C--N 1.36 1.03 0 N-CA-C 117.394 2.368 . . . . 0.0 117.394 170.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.0 m -173.34 -65.85 0.02 OUTLIER 'General case' 0 CA--C 1.506 -0.746 0 C-N-CA 126.306 1.842 . . . . 0.0 109.281 175.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.2 mp0 -100.7 -138.34 0.33 Allowed 'General case' 0 CA--C 1.541 0.605 0 CA-C-O 123.283 1.516 . . . . 0.0 114.279 -177.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -142.92 81.56 12.84 Favored Pre-proline 0 C--N 1.358 0.949 0 O-C-N 118.916 -2.365 . . . . 0.0 112.166 -177.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -74.32 54.87 3.42 Favored 'Trans proline' 0 CA--C 1.549 1.234 0 C-N-CA 123.998 3.132 . . . . 0.0 114.108 176.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -75.75 51.51 0.62 Allowed 'General case' 0 C--N 1.37 1.49 0 C-N-CA 128.357 2.663 . . . . 0.0 110.987 177.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . 0.275 0.0 OUTLIER 61.19 20.88 11.39 Favored 'General case' 0 C--N 1.37 1.48 0 C-N-CA 129.573 3.149 . . . . 0.0 111.389 -165.916 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . 0.295 64.2 m-85 74.26 25.81 1.69 Allowed 'General case' 0 C--N 1.371 1.539 1 C-N-CA 132.898 4.479 . . . . 0.0 112.948 -177.493 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -60.25 -38.0 82.14 Favored 'General case' 0 C--N 1.381 1.941 0 C-N-CA 128.304 2.642 . . . . 0.0 115.481 -178.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -57.02 -54.69 43.89 Favored 'General case' 0 C--N 1.363 1.185 0 C-N-CA 126.166 1.786 . . . . 0.0 114.043 176.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -70.33 -51.82 27.25 Favored 'General case' 0 C--N 1.36 1.032 0 C-N-CA 124.833 1.253 . . . . 0.0 114.346 172.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.266 20.4 m-85 -73.15 -36.13 66.59 Favored 'General case' 0 C--N 1.367 1.36 0 N-CA-C 115.433 1.642 . . . . 0.0 115.433 -175.612 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . 0.277 60.4 p -71.94 -31.8 66.7 Favored 'General case' 0 C--N 1.37 1.465 0 O-C-N 119.693 -1.879 . . . . 0.0 113.489 173.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -70.55 -48.78 53.74 Favored 'General case' 0 C--N 1.369 1.415 0 C-N-CA 124.916 1.287 . . . . 0.0 112.891 170.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -63.72 -44.79 92.55 Favored 'General case' 0 C--N 1.373 1.627 0 C-N-CA 125.375 1.47 . . . . 0.0 114.057 176.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.435 ' CE1' ' CE2' ' A' ' 46' ' ' TYR . 9.0 t80 -65.33 -52.5 53.52 Favored 'General case' 0 C--N 1.377 1.765 0 C-N-CA 126.305 1.842 . . . . 0.0 111.441 173.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 55.7 ttp85 -68.13 -28.51 67.38 Favored 'General case' 0 C--N 1.365 1.254 0 CA-C-N 121.703 2.047 . . . . 0.0 115.462 178.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -70.64 -51.62 26.74 Favored 'General case' 0 C--N 1.367 1.341 0 O-C-N 120.126 -1.609 . . . . 0.0 113.485 173.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -76.22 -31.92 58.65 Favored 'General case' 0 C--N 1.368 1.394 0 CA-C-N 119.943 1.247 . . . . 0.0 113.137 178.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -71.55 -39.66 70.53 Favored 'General case' 0 C--N 1.361 1.099 0 C-N-CA 125.709 1.604 . . . . 0.0 112.452 175.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.63 -46.21 73.16 Favored 'General case' 0 C--N 1.387 2.198 0 CA-C-N 121.721 2.055 . . . . 0.0 109.454 178.006 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -54.78 -50.86 67.45 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 128.11 2.564 . . . . 0.0 115.313 174.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . 0.456 0.0 OUTLIER -75.18 -34.24 61.53 Favored 'General case' 0 C--N 1.374 1.634 0 C-N-CA 126.236 1.815 . . . . 0.0 115.473 175.533 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.6 -53.21 60.26 Favored 'General case' 0 C--N 1.376 1.746 0 C-N-CA 129.61 3.164 . . . . 0.0 110.701 170.301 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 71.9 mtm180 -62.56 -39.45 93.69 Favored 'General case' 0 C--N 1.358 0.952 0 C-N-CA 128.046 2.539 . . . . 0.0 116.696 174.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . 0.292 9.8 ptt-85 -72.26 -53.44 12.5 Favored 'General case' 0 C--N 1.375 1.692 0 CA-C-N 123.161 2.71 . . . . 0.0 117.833 164.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.4 mmt85 -82.3 -30.56 30.48 Favored 'General case' 0 C--N 1.356 0.869 0 O-C-N 120.774 -1.204 . . . . 0.0 114.126 -165.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -113.82 -32.99 5.93 Favored 'General case' 0 C--N 1.357 0.893 0 C-N-CA 125.989 1.716 . . . . 0.0 110.461 -176.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.417 ' HA2' HG23 ' A' ' 100' ' ' ILE . . . 77.99 -112.54 3.51 Favored Glycine 0 C--N 1.386 3.349 0 O-C-N 119.443 -2.036 . . . . 0.0 111.347 -169.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.485 HG22 ' CD1' ' A' ' 92' ' ' TYR . 5.0 p -127.28 107.95 10.44 Favored 'General case' 0 N--CA 1.437 -1.095 1 N-CA-C 99.856 -4.128 . . . . 0.0 99.856 168.916 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.3 ttmt -147.67 148.2 30.79 Favored 'General case' 0 CA--C 1.497 -1.059 0 C-N-CA 125.104 1.362 . . . . 0.0 107.745 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.31 108.35 4.73 Favored 'General case' 0 C--N 1.363 1.174 0 O-C-N 120.437 -1.415 . . . . 0.0 109.342 170.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.3 p -137.89 155.6 30.42 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.613 0 N-CA-C 103.866 -2.642 . . . . 0.0 103.866 -174.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.419 ' CD2' ' O ' ' A' ' 88' ' ' TRP . 63.8 t-80 -86.14 121.31 28.56 Favored 'General case' 0 C--N 1.353 0.748 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 175.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.439 ' HB3' HD21 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -55.96 -28.11 55.58 Favored 'General case' 0 C--N 1.361 1.082 0 N-CA-C 116.178 1.918 . . . . 0.0 116.178 -173.69 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.385 5.2 t-20 -72.47 -27.67 62.44 Favored 'General case' 0 C--N 1.366 1.284 0 O-C-N 120.591 -1.318 . . . . 0.0 112.537 171.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.9 mt -65.92 -42.98 93.03 Favored 'Isoleucine or valine' 0 C--N 1.366 1.321 0 C-N-CA 127.011 2.124 . . . . 0.0 111.255 170.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . 0.531 0.9 OUTLIER -74.46 -29.48 24.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 124.543 1.137 . . . . 0.0 112.906 175.835 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.435 ' CE2' ' CE1' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -65.06 -54.42 30.46 Favored 'General case' 0 C--N 1.382 1.992 0 C-N-CA 127.18 2.192 . . . . 0.0 107.412 169.206 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.444 ' HA ' HG12 ' A' ' 50' ' ' ILE . 76.2 m-20 -59.1 -27.55 65.68 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 117.635 2.457 . . . . 0.0 117.635 175.317 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -71.77 -40.25 69.4 Favored 'General case' 0 C--N 1.364 1.228 0 C-N-CA 126.27 1.828 . . . . 0.0 112.33 171.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . 0.328 0.2 OUTLIER -69.89 -37.97 76.18 Favored 'General case' 0 CA--C 1.55 0.977 1 C-N-CA 131.776 4.03 . . . . 0.0 113.834 172.481 . . . . . . . . 4 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.585 HG23 ' CD2' ' A' ' 55' ' ' HIS . 0.1 OUTLIER -58.75 -39.11 75.81 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.524 1 C-N-CA 131.788 4.035 . . . . 0.0 114.986 -173.007 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 33.9 m -91.2 73.01 6.26 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 121.474 0.654 . . . . 0.0 112.52 175.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 40.8 m-70 -159.65 -158.78 0.68 Allowed 'General case' 0 C--N 1.361 1.076 0 C-N-CA 126.819 2.047 . . . . 0.0 107.012 -178.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.17 -24.83 60.6 Favored 'General case' 0 C--N 1.371 1.533 0 C-N-CA 128.082 2.553 . . . . 0.0 116.496 178.05 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -92.16 11.27 26.11 Favored 'General case' 0 N--CA 1.439 -0.996 1 C-N-CA 133.939 4.895 . . . . 0.0 117.839 -168.474 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.585 ' CD2' HG23 ' A' ' 50' ' ' ILE 0.273 10.8 t-80 -52.17 85.27 0.0 OUTLIER 'General case' 0 C--N 1.364 1.226 0 N-CA-C 119.176 3.028 . . . . 0.0 119.176 -175.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.451 HG23 ' HB3' ' A' ' 60' ' ' ALA . 83.1 mt -114.36 130.66 68.27 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.222 1 C-N-CA 131.714 4.006 . . . . 0.0 103.502 176.269 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.512 ' CE1' HG13 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -110.68 165.87 11.48 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 103.135 -2.913 . . . . 0.0 103.135 169.624 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 42.3 tpp -51.37 -16.21 0.52 Allowed 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 129.612 3.165 . . . . 0.0 117.564 -175.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . 0.271 10.6 m-80 -78.4 -21.85 48.69 Favored 'General case' 0 N--CA 1.415 -2.216 1 C-N-CA 133.672 4.789 . . . . 0.0 112.98 -175.93 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.451 ' HB3' HG23 ' A' ' 56' ' ' ILE . . . -92.19 31.29 1.3 Allowed 'General case' 0 C--N 1.37 1.476 0 C-N-CA 128.301 2.64 . . . . 0.0 116.089 179.551 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.405 HG21 ' CZ3' ' A' ' 63' ' ' TRP 0.354 3.5 t -160.9 -174.8 4.58 Favored 'General case' 0 C--N 1.362 1.118 0 O-C-N 120.667 -1.271 . . . . 0.0 112.42 -170.688 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -93.57 7.07 46.1 Favored 'General case' 0 C--N 1.369 1.434 0 C-N-CA 131.198 3.799 . . . . 0.0 114.711 -172.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.405 ' CZ3' HG21 ' A' ' 61' ' ' THR . 0.9 OUTLIER -109.17 152.65 24.85 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 128.604 2.761 . . . . 0.0 105.099 177.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -117.98 -56.73 2.16 Favored 'General case' 0 C--N 1.358 0.941 0 CA-C-N 120.697 1.59 . . . . 0.0 114.284 -175.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 70.1 p -87.6 -64.84 1.09 Allowed 'General case' 0 C--N 1.356 0.852 0 C-N-CA 126.067 1.747 . . . . 0.0 114.112 -171.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.439 HD21 ' HB3' ' A' ' 42' ' ' ASN 0.25 1.9 tp 173.97 -34.91 0.0 OUTLIER 'General case' 0 CA--C 1.506 -0.728 0 C-N-CA 130.441 3.496 . . . . 0.0 102.37 174.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.645 HG23 ' CZ2' ' A' ' 88' ' ' TRP . 13.5 m -56.42 -44.4 80.32 Favored 'General case' 0 CA--C 1.484 -1.566 1 C-N-CA 133.07 4.548 . . . . 0.0 113.501 -173.783 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.4 -28.89 63.27 Favored 'General case' 0 C--N 1.344 0.352 0 N-CA-C 116.436 2.013 . . . . 0.0 116.436 175.322 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -76.18 -32.85 59.23 Favored 'General case' 0 C--N 1.364 1.236 0 C-N-CA 125.595 1.558 . . . . 0.0 109.961 171.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.485 ' HB ' HG21 ' A' ' 81' ' ' VAL 0.309 0.6 OUTLIER -72.23 -36.21 69.07 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 126.398 1.879 . . . . 0.0 111.066 174.867 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 25.1 mmtt -62.27 -39.09 91.76 Favored 'General case' 0 C--N 1.377 1.798 0 N-CA-C 115.45 1.648 . . . . 0.0 115.45 166.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 91.5 t90 -80.57 -55.0 5.16 Favored 'General case' 0 C--N 1.362 1.142 0 C-N-CA 126.02 1.728 . . . . 0.0 113.89 -179.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.62 -35.28 80.35 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 128.403 2.681 . . . . 0.0 116.221 177.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -62.04 -27.21 68.46 Favored Glycine 0 C--N 1.359 1.844 0 C-N-CA 128.067 2.746 . . . . 0.0 114.795 166.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 31.2 ttp180 -73.99 -27.63 61.07 Favored 'General case' 0 C--N 1.361 1.097 0 N-CA-C 114.948 1.462 . . . . 0.0 114.948 179.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -82.79 -20.71 35.26 Favored 'General case' 0 C--N 1.356 0.85 0 N-CA-C 116.915 2.191 . . . . 0.0 116.915 -169.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.59 20.86 15.9 Favored Glycine 0 C--N 1.363 2.037 0 O-C-N 121.185 -0.947 . . . . 0.0 111.36 -177.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.92 -43.1 4.95 Favored 'General case' 0 CA--C 1.468 -2.182 0 C-N-CA 123.868 0.867 . . . . 0.0 110.55 177.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 92' ' ' TYR . 13.1 m -128.53 147.37 50.69 Favored 'General case' 0 C--O 1.224 -0.271 0 N-CA-C 116.296 1.961 . . . . 0.0 116.296 -176.39 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -103.18 143.39 32.69 Favored 'General case' 0 C--N 1.359 0.98 0 C-N-CA 127.641 2.376 . . . . 0.0 107.754 172.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.485 HG21 ' HB ' ' A' ' 70' ' ' THR . 0.2 OUTLIER -131.28 142.16 44.1 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 O-C-N 119.084 -2.26 . . . . 0.0 112.943 -172.36 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -143.26 151.35 40.46 Favored 'General case' 0 C--N 1.364 1.206 0 C-N-CA 124.958 1.303 . . . . 0.0 110.132 174.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -122.96 139.49 54.01 Favored 'General case' 0 C--N 1.367 1.361 0 O-C-N 120.135 -1.603 . . . . 0.0 110.529 178.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.428 ' HB ' ' CD ' ' A' ' 85' ' ' PRO . 43.5 p -123.26 174.96 3.04 Favored Pre-proline 0 C--N 1.359 1.006 0 C-N-CA 129.262 3.025 . . . . 0.0 109.907 -177.391 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.428 ' CD ' ' HB ' ' A' ' 84' ' ' THR . 22.6 Cg_exo -68.94 -1.62 8.12 Favored 'Trans proline' 0 N--CA 1.442 -1.537 0 N-CA-C 118.176 2.337 . . . . 0.0 118.176 166.075 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 29.4 ttpt -112.78 -5.9 13.87 Favored 'General case' 0 C--N 1.361 1.092 0 CA-C-N 120.189 1.359 . . . . 0.0 112.464 -179.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 149.74 -164.35 29.49 Favored Glycine 0 C--N 1.362 2.012 0 O-C-N 120.635 -1.291 . . . . 0.0 115.126 -178.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.645 ' CZ2' HG23 ' A' ' 67' ' ' THR . 15.2 m95 -101.87 119.4 38.72 Favored 'General case' 0 C--N 1.364 1.236 0 C-N-CA 127.949 2.5 . . . . 0.0 107.52 175.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -114.54 125.8 54.2 Favored 'General case' 0 CA--C 1.501 -0.927 0 N-CA-C 105.471 -2.048 . . . . 0.0 105.471 -178.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -116.2 137.56 49.56 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.935 0 C-N-CA 127.178 2.191 . . . . 0.0 105.907 178.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -122.42 124.98 44.89 Favored 'General case' 0 N--CA 1.429 -1.522 0 N-CA-C 103.054 -2.943 . . . . 0.0 103.054 172.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.485 ' CD1' HG22 ' A' ' 37' ' ' THR 0.511 0.4 OUTLIER -74.23 147.24 42.65 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 125.667 1.587 . . . . 0.0 112.701 -179.781 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 5.4 mt -86.81 119.99 35.58 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.95 1 C-N-CA 133.683 4.793 . . . . 0.0 105.458 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . 0.284 14.0 p30 -76.68 84.88 3.32 Favored 'General case' 0 C--N 1.36 1.036 0 O-C-N 119.872 -1.767 . . . . 0.0 113.85 -178.546 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 -37.82 -86.47 0.0 OUTLIER 'General case' 0 C--N 1.367 1.333 0 C-N-CA 131.526 3.93 . . . . 0.0 115.251 177.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -103.03 106.78 52.56 Favored Pre-proline 0 CA--C 1.533 0.302 0 CA-C-O 112.9 -3.428 . . . . 0.0 105.907 158.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -53.86 -25.92 37.33 Favored 'Trans proline' 0 C--N 1.374 1.905 2 C-N-CA 127.563 5.509 . . . . 0.0 116.838 -178.124 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -54.67 -43.69 72.64 Favored 'General case' 0 C--N 1.362 1.147 0 C-N-CA 129.223 3.009 . . . . 0.0 110.598 166.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -57.99 -44.52 87.22 Favored 'General case' 0 C--N 1.37 1.459 0 O-C-N 119.726 -1.859 . . . . 0.0 113.74 175.16 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.417 HG23 ' HA2' ' A' ' 36' ' ' GLY . 2.7 mp -68.37 -50.13 59.89 Favored 'Isoleucine or valine' 0 C--N 1.361 1.071 0 C-N-CA 128.981 2.912 . . . . 0.0 111.96 174.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -63.87 -35.97 82.41 Favored 'General case' 0 C--N 1.367 1.339 0 O-C-N 120.01 -1.681 . . . . 0.0 113.656 176.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 11.6 mmp_? -73.15 -40.02 65.22 Favored 'General case' 0 C--N 1.367 1.342 0 C-N-CA 125.122 1.369 . . . . 0.0 110.355 170.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . 0.389 28.1 mt-30 -62.28 -35.78 80.06 Favored 'General case' 0 C--N 1.372 1.572 0 N-CA-C 116.228 1.936 . . . . 0.0 116.228 174.243 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 100' ' ' ILE . 0.2 OUTLIER -81.61 -53.01 6.6 Favored 'General case' 0 C--N 1.356 0.85 0 O-C-N 120.511 -1.368 . . . . 0.0 112.241 175.606 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -78.08 -42.3 32.58 Favored 'General case' 0 C--N 1.36 1.062 0 N-CA-C 117.819 2.526 . . . . 0.0 117.819 -172.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 10.7 mt -83.28 -47.54 11.41 Favored 'General case' 0 C--N 1.362 1.147 0 C-N-CA 124.8 1.24 . . . . 0.0 114.294 -178.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -67.84 -17.58 64.54 Favored 'General case' 0 C--N 1.364 1.198 0 C-N-CA 127.613 2.365 . . . . 0.0 113.82 -178.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -130.33 41.23 3.43 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 112.965 -1.925 . . . . 0.0 112.504 177.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -82.63 68.61 9.16 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 127.136 2.175 . . . . 0.0 114.531 -176.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm -73.79 55.96 0.54 Allowed 'General case' 0 C--N 1.35 0.592 0 N-CA-C 117.046 2.239 . . . . 0.0 117.046 -176.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp . . . . . 0 C--N 1.359 0.996 0 C-N-CA 126.09 1.756 . . . . 0.0 110.14 176.556 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.494 -1.265 0 N-CA-C 109.296 -1.521 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -154.49 -179.78 8.29 Favored 'General case' 0 C--N 1.352 0.692 0 C-N-CA 124.971 1.308 . . . . 0.0 108.46 -178.38 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . 0.273 15.9 tpt180 76.37 -42.23 0.43 Allowed 'General case' 0 C--N 1.361 1.073 0 C-N-CA 128.609 2.764 . . . . 0.0 117.379 173.229 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 12.7 tp60 -82.4 -40.67 20.95 Favored 'General case' 0 C--N 1.36 1.031 0 C-N-CA 128.125 2.57 . . . . 0.0 111.183 175.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.0 mt 80.39 71.02 0.03 OUTLIER 'General case' 0 C--N 1.362 1.124 0 C-N-CA 129.511 3.124 . . . . 0.0 111.911 -178.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -57.1 152.45 13.37 Favored 'General case' 0 C--N 1.367 1.331 0 C-N-CA 129.761 3.224 . . . . 0.0 117.466 -176.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 69.7 mt -112.2 13.21 20.48 Favored 'General case' 0 C--N 1.363 1.158 0 N-CA-C 114.845 1.424 . . . . 0.0 114.845 -177.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 65.78 -30.9 0.14 Allowed 'General case' 0 C--N 1.357 0.916 0 N-CA-C 120.433 3.494 . . . . 0.0 120.433 170.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.3 p -56.83 -76.57 0.03 OUTLIER 'General case' 0 C--N 1.363 1.162 1 C-N-CA 133.143 4.577 . . . . 0.0 114.823 178.498 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -115.56 124.58 51.37 Favored 'General case' 0 CA--C 1.509 -0.602 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 171.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -110.49 104.9 56.68 Favored Pre-proline 0 N--CA 1.442 -0.857 0 C-N-CA 125.936 1.694 . . . . 0.0 110.532 -177.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -64.58 58.04 0.26 Allowed 'Trans proline' 0 CA--C 1.547 1.164 1 C-N-CA 126.113 4.542 . . . . 0.0 117.492 177.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -78.32 59.9 2.42 Favored 'General case' 0 C--N 1.366 1.287 0 C-N-CA 129.439 3.096 . . . . 0.0 109.385 177.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . 0.388 31.9 mt-30 61.21 16.0 6.86 Favored 'General case' 0 C--N 1.366 1.292 0 C-N-CA 131.608 3.963 . . . . 0.0 113.328 -167.322 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . 0.302 48.3 m-85 81.78 27.05 0.18 Allowed 'General case' 0 C--N 1.366 1.321 0 C-N-CA 130.765 3.626 . . . . 0.0 112.239 178.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 12.4 tpt -41.6 -37.96 1.25 Allowed 'General case' 0 C--N 1.379 1.856 1 C-N-CA 133.26 4.624 . . . . 0.0 116.503 175.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -58.93 -36.07 74.15 Favored 'General case' 0 C--N 1.362 1.144 0 C-N-CA 126.875 2.07 . . . . 0.0 115.01 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -70.07 -52.08 26.77 Favored 'General case' 0 C--N 1.36 1.058 0 C-N-CA 126.563 1.945 . . . . 0.0 113.644 175.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -73.83 -40.52 63.28 Favored 'General case' 0 C--N 1.355 0.847 0 C-N-CA 127.978 2.511 . . . . 0.0 114.112 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . 0.352 79.5 p -72.55 -30.78 64.72 Favored 'General case' 0 C--N 1.37 1.492 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 177.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -70.46 -41.93 72.14 Favored 'General case' 0 C--N 1.366 1.302 0 CA-C-N 120.67 1.577 . . . . 0.0 113.752 170.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -67.9 -45.84 73.3 Favored 'General case' 0 C--N 1.365 1.275 0 CA-C-N 121.482 1.947 . . . . 0.0 113.394 174.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.462 ' CZ ' ' CE2' ' A' ' 46' ' ' TYR . 14.0 t80 -63.91 -52.1 61.45 Favored 'General case' 0 C--N 1.371 1.519 0 C-N-CA 124.814 1.246 . . . . 0.0 112.349 173.63 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.557 ' HE ' HD23 ' A' ' 28' ' ' LEU 0.344 0.0 OUTLIER -69.89 -28.97 66.07 Favored 'General case' 0 C--N 1.363 1.153 0 CA-C-N 121.094 1.77 . . . . 0.0 115.6 175.973 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -67.3 -52.41 40.92 Favored 'General case' 0 C--N 1.375 1.694 0 O-C-N 119.011 -2.306 . . . . 0.0 112.579 171.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -76.23 -50.92 13.18 Favored 'General case' 0 C--N 1.36 1.033 0 N-CA-C 115.567 1.691 . . . . 0.0 115.567 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.41 ' HB3' ' O ' ' A' ' 23' ' ' PHE . 12.4 t80 -62.15 -46.07 90.6 Favored 'General case' 0 C--N 1.369 1.45 0 C-N-CA 126.839 2.055 . . . . 0.0 112.878 176.189 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.557 HD23 ' HE ' ' A' ' 24' ' ' ARG 0.346 0.0 OUTLIER -67.85 -32.73 73.46 Favored 'General case' 0 C--N 1.371 1.53 0 CA-C-N 119.457 1.026 . . . . 0.0 112.4 -179.977 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -65.55 -48.63 71.79 Favored 'General case' 0 C--N 1.385 2.118 0 C-N-CA 125.535 1.534 . . . . 0.0 115.072 168.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 tt -65.34 -34.78 79.14 Favored 'General case' 0 C--N 1.358 0.937 0 C-N-CA 128.918 2.887 . . . . 0.0 113.319 178.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 tt -64.14 -51.91 61.61 Favored 'General case' 0 C--N 1.365 1.252 0 C-N-CA 130.219 3.408 . . . . 0.0 109.41 169.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 33.7 mtm180 -59.31 -46.11 89.46 Favored 'General case' 0 C--N 1.369 1.443 0 C-N-CA 127.09 2.156 . . . . 0.0 116.493 173.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . 0.415 0.8 OUTLIER -73.1 -53.2 11.65 Favored 'General case' 0 C--N 1.365 1.279 0 N-CA-C 121.781 3.993 . . . . 0.0 121.781 169.531 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.4 mtt180 -82.91 -35.07 26.42 Favored 'General case' 0 C--N 1.349 0.563 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 -171.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -107.51 -37.47 6.19 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 125.548 1.539 . . . . 0.0 110.69 -176.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 78.05 -104.35 2.0 Favored Glycine 0 C--N 1.38 3.008 0 CA-C-O 124.293 2.051 . . . . 0.0 110.618 -169.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.7 p -134.85 108.15 7.77 Favored 'General case' 0 N--CA 1.437 -1.09 0 N-CA-C 103.485 -2.783 . . . . 0.0 103.485 171.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -147.42 152.11 37.58 Favored 'General case' 0 CA--C 1.51 -0.591 0 C-N-CA 125.525 1.53 . . . . 0.0 107.815 178.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.12 108.37 11.37 Favored 'General case' 0 C--N 1.363 1.175 0 C-N-CA 125.445 1.498 . . . . 0.0 110.298 172.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.7 p -149.26 152.61 11.82 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.246 0 N-CA-C 105.32 -2.104 . . . . 0.0 105.32 -173.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.446 ' HE1' ' HG ' ' A' ' 66' ' ' LEU . 0.8 OUTLIER -84.0 138.0 33.33 Favored 'General case' 0 C--N 1.367 1.361 0 CA-C-O 123.308 1.528 . . . . 0.0 109.02 177.901 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.627 ' HB2' HD21 ' A' ' 66' ' ' LEU . 0.9 OUTLIER -57.21 -29.49 63.77 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 115.447 1.647 . . . . 0.0 115.447 -179.389 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -67.24 -27.76 67.49 Favored 'General case' 0 C--N 1.367 1.351 0 C-N-CA 128.352 2.661 . . . . 0.0 111.953 176.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.8 mt -75.88 -41.76 39.48 Favored 'Isoleucine or valine' 0 C--N 1.366 1.313 0 C-N-CA 125.967 1.707 . . . . 0.0 110.189 170.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.4 m -73.17 -38.64 55.19 Favored 'Isoleucine or valine' 0 C--N 1.37 1.492 0 C-N-CA 124.771 1.228 . . . . 0.0 113.018 179.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.462 ' CE2' ' CZ ' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -60.02 -51.34 70.05 Favored 'General case' 0 C--N 1.385 2.143 0 C-N-CA 129.305 3.042 . . . . 0.0 110.849 176.329 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -63.1 -26.41 68.82 Favored 'General case' 0 C--N 1.363 1.181 0 C-N-CA 130.005 3.322 . . . . 0.0 113.851 174.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -78.3 -42.07 31.91 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 125.19 1.396 . . . . 0.0 112.119 173.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.489 ' CD1' HG23 ' A' ' 50' ' ' ILE 0.266 0.4 OUTLIER -64.84 -48.13 75.45 Favored 'General case' 0 C--N 1.358 0.97 0 C-N-CA 130.671 3.588 . . . . 0.0 113.205 177.663 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.489 HG23 ' CD1' ' A' ' 49' ' ' TYR . 8.9 pt -80.42 -1.35 4.68 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.773 1 N-CA-C 121.919 4.044 . . . . 0.0 121.919 -175.087 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.5 t -79.86 0.9 29.13 Favored 'General case' 0 CA--C 1.554 1.124 0 C-N-CA 124.027 0.931 . . . . 0.0 112.74 174.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -94.91 -164.97 1.23 Allowed 'General case' 0 CA--C 1.554 1.127 1 C-N-CA 132.282 4.233 . . . . 0.0 106.717 172.168 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.8 -39.75 86.03 Favored 'General case' 0 C--N 1.371 1.515 0 N-CA-C 118.308 2.707 . . . . 0.0 118.308 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -64.0 11.67 0.04 OUTLIER 'General case' 0 CA--C 1.497 -1.074 1 C-N-CA 135.851 5.66 . . . . 0.0 121.58 -169.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.479 ' HD2' ' HB ' ' A' ' 50' ' ' ILE 0.309 32.1 t-80 -46.43 98.87 0.02 OUTLIER 'General case' 0 C--N 1.367 1.358 0 N-CA-C 117.291 2.33 . . . . 0.0 117.291 179.451 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.417 ' O ' HG21 ' A' ' 50' ' ' ILE . 30.9 mt -130.75 157.58 43.08 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.269 2 C-N-CA 133.786 4.835 . . . . 0.0 99.897 -179.349 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.536 ' HB3' HD22 ' A' ' 59' ' ' ASN . 0.1 OUTLIER -134.09 156.85 47.53 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 102.716 -3.068 . . . . 0.0 102.716 166.121 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.51 -13.01 0.19 Allowed 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 130.104 3.362 . . . . 0.0 119.61 -172.416 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.536 HD22 ' HB3' ' A' ' 57' ' ' HIS 0.268 21.9 m-80 -81.1 -25.78 36.73 Favored 'General case' 0 N--CA 1.427 -1.588 1 C-N-CA 134.588 5.155 . . . . 0.0 109.149 -177.955 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -84.92 51.19 2.09 Favored 'General case' 0 C--N 1.382 2.004 0 C-N-CA 127.437 2.295 . . . . 0.0 111.987 168.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 14.3 p -145.85 -169.62 3.28 Favored 'General case' 0 C--N 1.354 0.785 0 O-C-N 120.724 -1.235 . . . . 0.0 109.652 -173.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 24.9 pt20 -97.58 1.16 48.53 Favored 'General case' 0 C--N 1.371 1.524 0 C-N-CA 125.79 1.636 . . . . 0.0 110.908 171.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.402 ' CE3' ' HB2' ' A' ' 69' ' ' PHE . 1.9 m-90 -103.25 110.51 22.52 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 127.956 2.502 . . . . 0.0 108.491 -173.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -73.28 -12.4 60.84 Favored 'General case' 0 C--N 1.367 1.361 0 C-N-CA 126.474 1.91 . . . . 0.0 115.592 -175.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 t -160.6 158.19 28.56 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 102.037 -3.32 . . . . 0.0 102.037 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.627 HD21 ' HB2' ' A' ' 42' ' ' ASN . 8.7 tp -56.18 -30.74 62.65 Favored 'General case' 0 C--N 1.369 1.454 0 C-N-CA 130.68 3.592 . . . . 0.0 115.583 -173.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.532 HG22 ' HZ2' ' A' ' 71' ' ' LYS . 93.3 m -58.75 -40.66 84.52 Favored 'General case' 0 C--N 1.347 0.486 1 C-N-CA 131.728 4.011 . . . . 0.0 114.452 174.759 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -72.87 -27.7 62.07 Favored 'General case' 0 C--N 1.362 1.117 0 C-N-CA 126.434 1.894 . . . . 0.0 115.439 176.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.402 ' HB2' ' CE3' ' A' ' 63' ' ' TRP . 1.5 t80 -72.79 -38.21 67.31 Favored 'General case' 0 C--N 1.359 0.99 0 C-N-CA 128.412 2.685 . . . . 0.0 109.517 173.047 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . 0.319 0.6 OUTLIER -72.17 -34.32 68.36 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 126.488 1.915 . . . . 0.0 113.028 176.825 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.532 ' HZ2' HG22 ' A' ' 67' ' ' THR . 16.2 mmtm -62.88 -41.15 99.3 Favored 'General case' 0 C--N 1.375 1.696 0 C-N-CA 126.171 1.788 . . . . 0.0 114.046 167.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 89.0 t90 -76.69 -48.63 18.31 Favored 'General case' 0 C--N 1.373 1.611 0 C-N-CA 126.742 2.017 . . . . 0.0 112.823 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . 0.526 0.0 OUTLIER -65.62 -34.07 77.37 Favored 'General case' 0 C--N 1.358 0.948 0 C-N-CA 126.786 2.034 . . . . 0.0 115.488 176.651 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.42 ' HA2' ' O ' ' A' ' 79' ' ' CYS . . . -63.63 -28.05 71.94 Favored Glycine 0 C--N 1.367 2.305 0 C-N-CA 128.314 2.864 . . . . 0.0 115.094 163.527 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 36.4 ttt85 -76.74 -36.59 57.0 Favored 'General case' 0 C--N 1.36 1.042 0 C-N-CA 126.103 1.761 . . . . 0.0 113.658 177.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -72.86 -13.4 61.27 Favored 'General case' 0 C--N 1.363 1.162 0 N-CA-C 116.454 2.02 . . . . 0.0 116.454 -174.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 90.21 17.54 52.89 Favored Glycine 0 C--N 1.357 1.74 0 C-N-CA 124.626 1.108 . . . . 0.0 113.851 178.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.543 HD22 HD11 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -106.26 -25.22 12.05 Favored 'General case' 0 CA--C 1.486 -1.492 0 C-N-CA 125.233 1.413 . . . . 0.0 111.678 -179.195 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.42 ' O ' ' HA2' ' A' ' 74' ' ' GLY . 2.7 m -140.27 139.91 35.61 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-N 122.522 2.419 . . . . 0.0 111.986 -179.199 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 83.5 mttt -98.58 115.32 28.37 Favored 'General case' 0 C--N 1.357 0.934 0 O-C-N 120.362 -1.461 . . . . 0.0 109.624 173.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.502 HG22 HG22 ' A' ' 90' ' ' ILE . 0.2 OUTLIER -99.99 151.61 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 O-C-N 118.634 -2.541 . . . . 0.0 113.957 -175.593 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -148.2 154.24 39.85 Favored 'General case' 0 C--N 1.356 0.878 0 CA-C-N 113.25 -1.795 . . . . 0.0 110.703 173.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 77.6 tt0 -119.5 140.26 50.77 Favored 'General case' 0 C--N 1.368 1.38 0 CA-C-O 123.02 1.39 . . . . 0.0 112.629 -177.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.43 ' HB ' ' CD ' ' A' ' 85' ' ' PRO . 72.8 p -119.56 177.42 1.38 Allowed Pre-proline 0 CA--C 1.504 -0.79 0 C-N-CA 130.777 3.631 . . . . 0.0 110.572 -178.449 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.43 ' CD ' ' HB ' ' A' ' 84' ' ' THR . 14.4 Cg_exo -71.53 -4.44 15.02 Favored 'Trans proline' 0 N--CA 1.442 -1.512 0 N-CA-C 117.877 2.222 . . . . 0.0 117.877 165.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 54.0 mttp -116.32 -5.73 11.8 Favored 'General case' 0 C--N 1.363 1.157 0 CA-C-N 120.974 1.715 . . . . 0.0 114.334 -176.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 155.62 -172.38 33.7 Favored Glycine 0 C--N 1.354 1.563 0 O-C-N 120.574 -1.329 . . . . 0.0 113.001 -178.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.501 ' CZ2' HG23 ' A' ' 67' ' ' THR . 6.1 m95 -102.42 110.04 21.87 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 127.885 2.474 . . . . 0.0 109.973 179.24 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -104.58 133.19 49.86 Favored 'General case' 0 C--N 1.362 1.137 0 C-N-CA 126.094 1.758 . . . . 0.0 107.232 -176.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.502 HG22 HG22 ' A' ' 81' ' ' VAL . 3.4 pt -118.85 136.23 56.7 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.603 0 N-CA-C 104.854 -2.276 . . . . 0.0 104.854 -175.58 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -117.4 122.54 44.11 Favored 'General case' 0 CA--C 1.496 -1.12 0 N-CA-C 102.556 -3.128 . . . . 0.0 102.556 169.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . 0.3 86.0 t80 -71.42 147.95 47.39 Favored 'General case' 0 N--CA 1.44 -0.928 0 C-N-CA 127.085 2.154 . . . . 0.0 113.249 -178.111 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 34.8 mm -86.66 116.8 29.88 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.853 0 C-N-CA 131.012 3.725 . . . . 0.0 104.589 175.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . 0.342 46.3 p-10 -79.53 95.53 5.87 Favored 'General case' 0 C--N 1.361 1.087 0 O-C-N 120.538 -1.351 . . . . 0.0 111.657 -179.554 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.432 ' HD3' HD23 ' A' ' 78' ' ' LEU 0.259 23.9 mmm180 -35.86 -93.14 0.0 OUTLIER 'General case' 0 C--N 1.359 0.982 1 C-N-CA 134.54 5.136 . . . . 0.0 114.292 179.088 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -102.29 115.56 64.34 Favored Pre-proline 0 N--CA 1.447 -0.586 0 CA-C-O 114.546 -2.645 . . . . 0.0 104.207 156.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -58.23 -21.6 52.83 Favored 'Trans proline' 0 C--N 1.358 1.034 1 C-N-CA 126.959 5.106 . . . . 0.0 115.782 179.003 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -67.52 -20.22 65.41 Favored 'General case' 0 C--N 1.365 1.274 0 C-N-CA 127.951 2.5 . . . . 0.0 111.142 167.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.446 HG22 HD12 ' A' ' 100' ' ' ILE 0.258 0.4 OUTLIER -76.54 -53.03 8.63 Favored 'General case' 0 C--N 1.368 1.397 0 C-N-CA 125.733 1.613 . . . . 0.0 109.135 167.603 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.446 HD12 HG22 ' A' ' 99' ' ' THR . 1.7 mp -57.84 -51.17 73.79 Favored 'Isoleucine or valine' 0 C--N 1.382 2.013 0 C-N-CA 129.216 3.006 . . . . 0.0 112.578 177.527 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 26.2 mmt85 -72.99 -21.5 60.83 Favored 'General case' 0 C--N 1.358 0.978 0 O-C-N 119.375 -2.078 . . . . 0.0 113.566 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -82.0 -37.83 25.98 Favored 'General case' 0 C--N 1.369 1.452 0 C-N-CA 124.773 1.229 . . . . 0.0 109.099 171.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . 0.441 37.9 mt-30 -60.37 -46.54 89.59 Favored 'General case' 0 C--N 1.37 1.473 0 C-N-CA 129.071 2.948 . . . . 0.0 113.636 172.101 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 100' ' ' ILE 0.254 0.0 OUTLIER -82.22 -50.8 8.58 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 115.901 1.815 . . . . 0.0 115.901 174.89 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -82.96 -53.01 6.16 Favored 'General case' 0 C--N 1.362 1.152 0 N-CA-C 117.881 2.548 . . . . 0.0 117.881 -171.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 2.5 mt -83.39 -53.17 5.92 Favored 'General case' 0 C--N 1.359 1.014 0 C-N-CA 126.461 1.904 . . . . 0.0 116.095 -175.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -57.64 -30.18 65.17 Favored 'General case' 0 C--N 1.374 1.641 0 C-N-CA 128.285 2.634 . . . . 0.0 114.262 -177.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -82.95 -8.23 59.59 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 113.376 -1.738 . . . . 0.0 115.202 -174.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 44.3 mmtm -80.44 51.71 1.5 Allowed 'General case' 0 C--N 1.359 1.002 0 C-N-CA 129.32 3.048 . . . . 0.0 114.362 -178.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -104.13 121.87 44.14 Favored 'General case' 0 C--N 1.35 0.623 0 C-N-CA 127.202 2.201 . . . . 0.0 110.889 -178.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 54.2 pttt . . . . . 0 C--N 1.352 0.706 0 N-CA-C 106.546 -1.65 . . . . 0.0 106.546 179.893 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.493 -1.335 0 N-CA-C 109.745 -1.342 . . . . 0.0 109.745 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -123.59 144.25 49.71 Favored 'General case' 0 C--N 1.352 0.707 0 C-N-CA 126.019 1.728 . . . . 0.0 108.979 177.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 42.63 -66.67 0.0 OUTLIER 'General case' 0 C--N 1.359 1.021 0 N-CA-C 121.777 3.991 . . . . 0.0 121.777 170.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -80.19 -29.08 38.59 Favored 'General case' 0 C--N 1.358 0.975 0 C-N-CA 127.131 2.172 . . . . 0.0 111.195 177.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 mm? 75.63 44.98 0.14 Allowed 'General case' 0 C--N 1.371 1.527 0 C-N-CA 130.263 3.425 . . . . 0.0 109.145 -176.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -85.93 -42.79 13.76 Favored 'General case' 0 C--N 1.358 0.945 0 C-N-CA 127.757 2.423 . . . . 0.0 115.636 -171.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.332 18.5 tp 74.19 -38.69 0.4 Allowed 'General case' 0 C--N 1.364 1.208 0 N-CA-C 117.487 2.403 . . . . 0.0 117.487 178.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 87.95 10.77 0.12 Allowed 'General case' 0 C--N 1.357 0.909 0 C-N-CA 126.955 2.102 . . . . 0.0 114.064 170.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.1 t 179.35 -157.52 0.03 OUTLIER 'General case' 0 C--N 1.352 0.686 0 N-CA-C 100.73 -3.804 . . . . 0.0 100.73 -177.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -121.79 -159.94 0.84 Allowed 'General case' 0 C--N 1.354 0.783 0 CA-C-N 120.934 1.697 . . . . 0.0 111.566 176.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 69.73 63.62 0.52 Allowed Pre-proline 0 C--N 1.356 0.89 0 C-N-CA 129.502 3.121 . . . . 0.0 114.012 -177.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -74.18 70.92 4.52 Favored 'Trans proline' 0 C--N 1.363 1.3 0 C-N-CA 125.052 3.835 . . . . 0.0 112.201 178.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -72.13 -53.33 13.06 Favored 'General case' 0 C--N 1.356 0.853 0 C-N-CA 129.598 3.159 . . . . 0.0 112.819 179.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -80.88 -6.8 59.1 Favored 'General case' 0 C--N 1.354 0.774 0 C-N-CA 127.547 2.339 . . . . 0.0 111.81 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -119.97 18.24 12.48 Favored 'General case' 0 C--N 1.36 1.049 0 C-N-CA 126.206 1.802 . . . . 0.0 109.71 178.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.7 tmt? -71.48 -26.26 62.63 Favored 'General case' 0 C--N 1.378 1.81 0 C-N-CA 128.8 2.84 . . . . 0.0 110.125 175.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -63.0 -32.55 73.94 Favored 'General case' 0 C--N 1.365 1.245 0 C-N-CA 127.193 2.197 . . . . 0.0 114.385 177.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -69.87 -52.65 23.02 Favored 'General case' 0 C--N 1.366 1.319 0 C-N-CA 127.089 2.156 . . . . 0.0 113.453 176.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 -73.73 -34.0 64.59 Favored 'General case' 0 C--N 1.356 0.865 0 C-N-CA 129.044 2.938 . . . . 0.0 113.323 178.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . 0.321 5.9 m -70.72 -29.42 65.69 Favored 'General case' 0 C--N 1.365 1.257 0 C-N-CA 126.004 1.721 . . . . 0.0 113.98 173.144 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -65.2 -40.18 93.83 Favored 'General case' 0 C--N 1.369 1.456 0 O-C-N 120.714 -1.241 . . . . 0.0 113.169 172.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -74.97 -49.96 18.26 Favored 'General case' 0 C--N 1.364 1.23 0 C-N-CA 125.849 1.66 . . . . 0.0 112.761 171.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.448 ' CZ ' ' CZ ' ' A' ' 46' ' ' TYR . 12.9 t80 -66.55 -52.8 41.74 Favored 'General case' 0 C--N 1.371 1.543 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 -178.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.446 HH11 ' HG ' ' A' ' 28' ' ' LEU 0.386 0.0 OUTLIER -66.03 -38.69 89.04 Favored 'General case' 0 C--N 1.359 1.0 0 O-C-N 120.153 -1.592 . . . . 0.0 115.208 178.791 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -70.91 -51.16 27.78 Favored 'General case' 0 C--N 1.358 0.953 0 O-C-N 119.455 -2.028 . . . . 0.0 115.525 173.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -74.41 -39.55 62.57 Favored 'General case' 0 C--N 1.37 1.457 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 -178.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -66.98 -44.87 79.33 Favored 'General case' 0 C--N 1.373 1.619 0 C-N-CA 126.023 1.729 . . . . 0.0 111.269 176.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.446 ' HG ' HH11 ' A' ' 24' ' ' ARG . 16.7 mt -66.81 -35.68 80.61 Favored 'General case' 0 C--N 1.379 1.85 0 CA-C-N 119.983 1.265 . . . . 0.0 112.811 172.133 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -60.4 -54.1 49.63 Favored 'General case' 0 C--N 1.366 1.309 0 N-CA-C 115.439 1.644 . . . . 0.0 115.439 172.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.411 HD11 ' HB2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -70.34 -34.81 73.09 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 125.886 1.674 . . . . 0.0 114.764 178.195 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.6 -53.82 52.87 Favored 'General case' 0 C--N 1.373 1.616 0 C-N-CA 127.266 2.226 . . . . 0.0 110.864 170.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.3 mtm180 -63.45 -38.44 91.14 Favored 'General case' 0 C--N 1.365 1.24 0 N-CA-C 114.984 1.475 . . . . 0.0 114.984 -176.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.481 ' HA ' ' HB3' ' A' ' 103' ' ' GLN 0.27 2.6 ptt180 -71.68 -51.44 23.01 Favored 'General case' 0 C--N 1.374 1.665 0 N-CA-C 116.947 2.203 . . . . 0.0 116.947 165.005 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 -79.71 -28.73 40.57 Favored 'General case' 0 C--N 1.358 0.967 0 N-CA-C 114.516 1.302 . . . . 0.0 114.516 -167.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -117.55 -31.25 5.27 Favored 'General case' 0 C--N 1.359 1.005 0 C-N-CA 125.034 1.334 . . . . 0.0 112.243 -175.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 75.36 -116.85 5.08 Favored Glycine 0 C--N 1.378 2.912 0 C-N-CA 125.595 1.569 . . . . 0.0 113.696 -174.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.452 HG21 ' HB3' ' A' ' 94' ' ' ASP . 6.0 p -124.88 108.11 11.58 Favored 'General case' 0 N--CA 1.441 -0.903 0 N-CA-C 100.693 -3.817 . . . . 0.0 100.693 169.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -157.82 142.44 16.36 Favored 'General case' 0 CA--C 1.493 -1.247 0 N-CA-C 104.308 -2.478 . . . . 0.0 104.308 -175.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.85 107.88 4.22 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-O 123.114 1.435 . . . . 0.0 112.068 175.197 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.7 p -141.46 145.79 24.19 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.071 0 O-C-N 120.082 -1.636 . . . . 0.0 106.877 -176.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.406 ' HE1' ' OD1' ' A' ' 43' ' ' ASN . 48.5 t-80 -68.45 135.81 52.26 Favored 'General case' 0 N--CA 1.444 -0.731 0 C-N-CA 127.917 2.487 . . . . 0.0 112.662 -179.434 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -65.8 -29.64 70.15 Favored 'General case' 0 C--N 1.361 1.078 0 N-CA-C 116.819 2.155 . . . . 0.0 116.819 -175.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.406 ' OD1' ' HE1' ' A' ' 41' ' ' HIS . 7.3 m120 -66.8 -27.02 67.23 Favored 'General case' 0 C--N 1.361 1.075 0 C-N-CA 125.408 1.483 . . . . 0.0 113.138 171.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.439 ' HA ' ' ND2' ' A' ' 47' ' ' ASN . 12.3 mt -76.3 -43.53 36.67 Favored 'Isoleucine or valine' 0 C--N 1.372 1.577 0 C-N-CA 128.61 2.764 . . . . 0.0 112.384 174.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.4 m -70.12 -37.29 71.51 Favored 'Isoleucine or valine' 0 C--N 1.367 1.329 0 O-C-N 121.014 -1.054 . . . . 0.0 109.23 171.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.448 ' CZ ' ' CZ ' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -65.32 -51.98 57.01 Favored 'General case' 0 C--N 1.391 2.396 0 C-N-CA 126.256 1.822 . . . . 0.0 111.663 175.601 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.439 ' ND2' ' HA ' ' A' ' 44' ' ' ILE . 15.9 p30 -59.21 -28.03 66.28 Favored 'General case' 0 C--N 1.369 1.453 0 CA-C-N 121.821 2.101 . . . . 0.0 115.636 175.236 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -75.71 -43.84 45.06 Favored 'General case' 0 C--N 1.367 1.349 0 CA-C-N 114.149 -1.387 . . . . 0.0 111.473 177.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.772 ' CE1' HG23 ' A' ' 50' ' ' ILE . 22.2 t80 -64.31 -53.25 51.82 Favored 'General case' 0 C--N 1.357 0.929 0 C-N-CA 131.519 3.928 . . . . 0.0 114.722 176.056 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.772 HG23 ' CE1' ' A' ' 49' ' ' TYR 0.432 1.1 pt -82.09 -3.88 7.4 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.16 0 N-CA-C 121.304 3.816 . . . . 0.0 121.304 -177.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 24.4 t -87.78 57.11 4.19 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.754 1.622 . . . . 0.0 107.085 169.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -154.56 -166.68 2.39 Favored 'General case' 0 N--CA 1.447 -0.618 1 C-N-CA 131.894 4.078 . . . . 0.0 101.729 -173.553 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.2 ppt_? -65.09 -30.63 71.6 Favored 'General case' 0 C--N 1.362 1.132 0 N-CA-C 117.224 2.305 . . . . 0.0 117.224 175.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -81.57 10.53 5.8 Favored 'General case' 0 CA--C 1.5 -0.953 0 N-CA-C 120.181 3.4 . . . . 0.0 120.181 -164.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.541 ' HD2' ' HB ' ' A' ' 50' ' ' ILE 0.48 13.6 t-80 -29.74 71.16 0.0 OUTLIER 'General case' 0 C--N 1.367 1.328 1 N-CA-C 122.697 4.332 . . . . 0.0 122.697 -174.861 . . . . . . . . 4 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.551 ' H ' HG21 ' A' ' 50' ' ' ILE . 38.2 mt -101.76 131.02 50.51 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.219 1 C-N-CA 132.293 4.237 . . . . 0.0 105.596 173.911 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.538 ' HB3' HD22 ' A' ' 59' ' ' ASN . 0.1 OUTLIER -114.16 160.16 19.28 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 103.326 -2.842 . . . . 0.0 103.326 170.018 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.93 -17.98 1.18 Allowed 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 119.553 3.168 . . . . 0.0 119.553 -171.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.538 HD22 ' HB3' ' A' ' 57' ' ' HIS 0.309 16.1 m-80 -78.35 -20.67 50.84 Favored 'General case' 0 N--CA 1.424 -1.73 1 C-N-CA 135.921 5.688 . . . . 0.0 109.678 -177.738 . . . . . . . . 4 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.451 ' HB3' HG23 ' A' ' 56' ' ' ILE . . . -89.45 49.26 1.72 Allowed 'General case' 0 C--N 1.385 2.113 0 C-N-CA 128.949 2.9 . . . . 0.0 110.994 168.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 8.3 p -149.81 -173.54 4.45 Favored 'General case' 0 C--N 1.361 1.083 0 C-N-CA 127.119 2.167 . . . . 0.0 109.975 -175.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -88.54 -19.89 25.79 Favored 'General case' 0 C--N 1.37 1.469 0 C-N-CA 129.662 3.185 . . . . 0.0 112.266 174.355 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 1.7 m-90 -85.17 107.61 17.32 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 128.529 2.732 . . . . 0.0 111.678 -176.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.405 ' HG3' HG23 ' A' ' 65' ' ' THR . 14.3 pt-20 -72.5 -10.0 59.25 Favored 'General case' 0 C--N 1.361 1.089 0 N-CA-C 117.076 2.251 . . . . 0.0 117.076 178.589 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.405 HG23 ' HG3' ' A' ' 64' ' ' GLU . 40.4 p -147.65 153.97 40.03 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 127.659 2.383 . . . . 0.0 104.647 -175.079 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.444 ' O ' HD23 ' A' ' 66' ' ' LEU . 1.2 tt -75.29 -3.24 32.21 Favored 'General case' 0 C--N 1.373 1.608 0 O-C-N 119.386 -2.071 . . . . 0.0 113.855 177.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.668 HG23 ' CZ2' ' A' ' 88' ' ' TRP . 33.0 m -80.54 -37.08 32.15 Favored 'General case' 0 C--N 1.358 0.973 0 C-N-CA 131.015 3.726 . . . . 0.0 107.643 175.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -72.79 -29.74 63.53 Favored 'General case' 0 C--N 1.361 1.087 0 N-CA-C 116.034 1.864 . . . . 0.0 116.034 174.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -72.48 -38.02 68.3 Favored 'General case' 0 C--N 1.363 1.177 0 C-N-CA 126.423 1.889 . . . . 0.0 110.346 171.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.607 ' HB ' HG21 ' A' ' 81' ' ' VAL 0.258 2.0 p -72.67 -35.21 67.64 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 124.796 1.238 . . . . 0.0 112.072 175.509 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.8 mmtp -62.38 -36.32 81.92 Favored 'General case' 0 C--N 1.378 1.837 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 169.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 87.2 t90 -78.29 -49.13 14.24 Favored 'General case' 0 C--N 1.37 1.478 0 C-N-CA 126.481 1.912 . . . . 0.0 112.742 177.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . 0.677 0.0 OUTLIER -65.28 -32.91 74.81 Favored 'General case' 0 C--N 1.361 1.091 0 O-C-N 119.157 -2.214 . . . . 0.0 115.637 177.852 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -60.41 -28.76 67.79 Favored Glycine 0 C--N 1.369 2.374 0 CA-C-N 112.306 -2.224 . . . . 0.0 116.101 160.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -83.5 -39.12 20.88 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 127.215 2.206 . . . . 0.0 114.668 177.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.438 ' CB ' ' CD1' ' A' ' 78' ' ' LEU . 49.7 mm-40 -66.96 -20.16 65.84 Favored 'General case' 0 C--N 1.359 1.0 0 C-N-CA 129.815 3.246 . . . . 0.0 113.504 177.07 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 91.35 15.6 55.09 Favored Glycine 0 C--N 1.359 1.833 0 CA-C-O 122.783 1.213 . . . . 0.0 111.412 165.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.438 ' CD1' ' CB ' ' A' ' 76' ' ' GLU . 3.1 mp -95.36 -31.73 13.28 Favored 'General case' 0 CA--C 1.48 -1.712 0 C-N-CA 125.112 1.365 . . . . 0.0 111.4 -177.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 92' ' ' TYR . 2.4 m -140.7 146.18 37.47 Favored 'General case' 0 CA--C 1.508 -0.648 0 O-C-N 119.448 -2.032 . . . . 0.0 114.44 -177.5 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 59.6 mttt -99.07 143.53 29.25 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 129.087 2.955 . . . . 0.0 107.266 175.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.607 HG21 ' HB ' ' A' ' 70' ' ' THR . 0.1 OUTLIER -132.25 144.41 37.1 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.696 0 O-C-N 119.429 -2.044 . . . . 0.0 112.176 -170.641 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -142.81 150.65 40.23 Favored 'General case' 0 C--N 1.359 1.003 0 CA-C-N 113.983 -1.462 . . . . 0.0 110.272 173.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -121.48 138.33 54.33 Favored 'General case' 0 C--N 1.365 1.257 0 O-C-N 120.537 -1.352 . . . . 0.0 109.672 178.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 46.4 p -124.99 175.73 2.84 Favored Pre-proline 0 C--N 1.361 1.093 0 C-N-CA 127.27 2.228 . . . . 0.0 111.172 -175.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -64.99 -6.48 12.91 Favored 'Trans proline' 0 CA--C 1.559 1.742 0 C-N-CA 123.173 2.582 . . . . 0.0 117.272 163.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -119.88 25.92 9.64 Favored 'General case' 0 C--N 1.364 1.198 0 C-N-CA 127.5 2.32 . . . . 0.0 111.844 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 115.59 -168.08 12.55 Favored Glycine 0 C--N 1.366 2.242 0 N-CA-C 118.687 2.235 . . . . 0.0 118.687 174.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.668 ' CZ2' HG23 ' A' ' 67' ' ' THR . 18.2 m95 -97.67 110.09 22.72 Favored 'General case' 0 C--N 1.368 1.404 0 C-N-CA 129.809 3.243 . . . . 0.0 108.793 177.389 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -108.89 132.25 54.23 Favored 'General case' 0 C--N 1.363 1.188 0 C-N-CA 127.866 2.466 . . . . 0.0 107.14 -178.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.578 HG22 HG22 ' A' ' 81' ' ' VAL . 2.3 pt -122.92 137.66 55.64 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.973 0 C-N-CA 126.241 1.816 . . . . 0.0 107.35 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -123.31 125.55 45.24 Favored 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 103.534 -2.765 . . . . 0.0 103.534 171.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.416 ' HA ' ' HA ' ' A' ' 79' ' ' CYS 0.273 49.3 t80 -63.11 147.49 50.67 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 127.953 2.501 . . . . 0.0 114.118 178.076 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.2 mt -94.25 106.41 18.06 Favored 'Isoleucine or valine' 0 C--N 1.354 0.768 0 N-CA-C 100.363 -3.94 . . . . 0.0 100.363 177.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.452 ' HB3' HG21 ' A' ' 37' ' ' THR 0.286 2.1 p30 -49.7 -27.11 4.36 Favored 'General case' 0 C--N 1.36 1.057 1 N-CA-C 122.389 4.218 . . . . 0.0 122.389 -167.847 . . . . . . . . 4 3 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . 0.321 6.3 mtp180 74.71 -92.45 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 128.208 2.603 . . . . 0.0 108.443 -179.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -102.45 119.25 56.72 Favored Pre-proline 0 N--CA 1.451 -0.387 0 N-CA-C 104.746 -2.316 . . . . 0.0 104.746 159.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -74.13 -8.6 21.21 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 125.239 3.959 . . . . 0.0 113.439 -177.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -70.81 -28.47 64.66 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 127.841 2.456 . . . . 0.0 109.672 168.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -68.51 -38.7 81.16 Favored 'General case' 0 C--N 1.372 1.55 0 O-C-N 120.223 -1.548 . . . . 0.0 111.621 174.487 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 45.7 mm -73.62 -50.76 28.11 Favored 'Isoleucine or valine' 0 C--N 1.365 1.275 0 C-N-CA 130.175 3.39 . . . . 0.0 110.168 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 85.4 mtm180 -66.34 -34.77 78.72 Favored 'General case' 0 C--N 1.364 1.223 0 O-C-N 119.992 -1.693 . . . . 0.0 113.697 175.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.83 -25.56 56.38 Favored 'General case' 0 C--N 1.372 1.545 0 C-N-CA 125.079 1.352 . . . . 0.0 111.171 173.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.481 ' HB3' ' HA ' ' A' ' 33' ' ' ARG 0.266 8.5 mt-30 -72.23 -41.05 67.27 Favored 'General case' 0 C--N 1.364 1.202 0 C-N-CA 124.684 1.194 . . . . 0.0 114.142 173.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.83 -53.89 6.63 Favored 'General case' 0 C--N 1.355 0.844 0 O-C-N 120.974 -1.079 . . . . 0.0 112.927 177.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -83.47 -57.43 3.25 Favored 'General case' 0 C--N 1.362 1.13 0 N-CA-C 118.946 2.943 . . . . 0.0 118.946 -174.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.76 -42.71 66.87 Favored 'General case' 0 C--N 1.364 1.213 0 C-N-CA 127.726 2.41 . . . . 0.0 115.624 -173.234 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -63.25 7.01 0.1 Allowed 'General case' 0 C--N 1.371 1.53 0 C-N-CA 129.653 3.181 . . . . 0.0 115.088 179.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -109.64 -16.14 14.0 Favored 'General case' 0 C--N 1.347 0.479 0 C-N-CA 129.181 2.992 . . . . 0.0 112.482 176.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -101.05 4.91 42.73 Favored 'General case' 0 C--N 1.358 0.974 0 C-N-CA 126.345 1.858 . . . . 0.0 115.124 -172.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 57.5 mttp -77.18 54.91 1.12 Allowed 'General case' 0 C--N 1.356 0.888 0 N-CA-C 116.74 2.126 . . . . 0.0 116.74 -175.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 76.5 tttt . . . . . 0 C--N 1.362 1.143 0 C-N-CA 129.457 3.103 . . . . 0.0 116.617 176.394 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.496 -1.138 0 N-CA-C 109.214 -1.554 . . . . 0.0 109.214 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.55 157.58 29.16 Favored 'General case' 0 CA--C 1.508 -0.667 0 C-N-CA 125.468 1.507 . . . . 0.0 109.963 -179.38 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 79.98 26.17 0.35 Allowed 'General case' 0 C--N 1.361 1.079 0 C-N-CA 127.799 2.44 . . . . 0.0 113.957 176.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -91.52 -32.66 15.47 Favored 'General case' 0 C--N 1.356 0.879 0 C-N-CA 128.867 2.867 . . . . 0.0 112.885 179.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.358 0.4 OUTLIER 48.47 47.88 19.84 Favored 'General case' 0 C--N 1.371 1.536 0 C-N-CA 129.11 2.964 . . . . 0.0 115.58 -174.784 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.1 154.3 37.89 Favored 'General case' 0 C--N 1.371 1.529 0 C-N-CA 125.308 1.443 . . . . 0.0 114.065 -177.052 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 89.4 mt -126.22 20.16 7.51 Favored 'General case' 0 CA--C 1.503 -0.832 0 C-N-CA 124.462 1.105 . . . . 0.0 110.897 -178.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 67.8 40.65 2.36 Favored 'General case' 0 C--N 1.361 1.082 0 C-N-CA 127.246 2.218 . . . . 0.0 114.984 174.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 80.7 p -78.06 90.26 4.21 Favored 'General case' 0 C--N 1.358 0.95 0 C-N-CA 127.547 2.339 . . . . 0.0 116.531 -174.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -151.98 -178.4 6.73 Favored 'General case' 0 N--CA 1.436 -1.13 0 N-CA-C 101.684 -3.45 . . . . 0.0 101.684 175.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 14.1 t30 84.14 87.64 0.05 OUTLIER Pre-proline 0 C--N 1.36 1.034 0 C-N-CA 127.032 2.133 . . . . 0.0 111.168 177.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -61.51 51.55 0.1 OUTLIER 'Trans proline' 0 CA--C 1.553 1.449 1 C-N-CA 125.763 4.309 . . . . 0.0 119.436 -172.174 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -72.16 -55.96 6.38 Favored 'General case' 0 C--N 1.367 1.368 0 C-N-CA 130.549 3.54 . . . . 0.0 112.983 179.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.3 pm0 -75.43 9.95 1.9 Allowed 'General case' 0 C--N 1.361 1.082 0 C-N-CA 127.56 2.344 . . . . 0.0 115.769 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -107.46 10.35 29.44 Favored 'General case' 0 C--N 1.355 0.81 0 C-N-CA 127.7 2.4 . . . . 0.0 108.081 174.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -60.97 -31.85 71.42 Favored 'General case' 0 C--N 1.378 1.841 0 C-N-CA 127.289 2.236 . . . . 0.0 113.787 176.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -65.11 -47.66 76.39 Favored 'General case' 0 C--N 1.365 1.24 0 O-C-N 119.429 -2.045 . . . . 0.0 113.952 172.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -70.39 -52.81 19.69 Favored 'General case' 0 C--N 1.364 1.215 0 C-N-CA 127.232 2.213 . . . . 0.0 114.646 175.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.8 m-30 -74.05 -44.5 54.06 Favored 'General case' 0 C--N 1.364 1.2 0 C-N-CA 127.184 2.194 . . . . 0.0 115.018 -178.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . 0.387 7.0 t -66.62 -29.17 69.15 Favored 'General case' 0 C--N 1.373 1.62 0 N-CA-C 114.918 1.451 . . . . 0.0 114.918 175.112 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -69.5 -48.35 60.88 Favored 'General case' 0 C--N 1.365 1.259 0 CA-C-N 121.709 2.05 . . . . 0.0 112.46 175.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -65.37 -45.9 82.25 Favored 'General case' 0 C--N 1.368 1.389 0 C-N-CA 125.999 1.719 . . . . 0.0 112.251 174.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.444 ' CE1' ' CE2' ' A' ' 46' ' ' TYR . 11.6 t80 -59.51 -50.95 71.95 Favored 'General case' 0 C--N 1.381 1.935 0 C-N-CA 125.258 1.423 . . . . 0.0 112.852 172.511 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.457 ' HE ' ' CD2' ' A' ' 28' ' ' LEU 0.387 0.0 OUTLIER -69.22 -34.22 74.52 Favored 'General case' 0 C--N 1.357 0.933 0 N-CA-C 116.274 1.953 . . . . 0.0 116.274 178.477 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -71.13 -51.49 24.66 Favored 'General case' 0 C--N 1.357 0.924 0 O-C-N 120.279 -1.513 . . . . 0.0 114.538 172.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -76.79 -38.33 54.18 Favored 'General case' 0 C--N 1.365 1.272 0 N-CA-C 115.044 1.498 . . . . 0.0 115.044 178.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -70.84 -38.73 73.22 Favored 'General case' 0 C--N 1.373 1.619 0 C-N-CA 126.098 1.759 . . . . 0.0 110.63 175.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.457 ' CD2' ' HE ' ' A' ' 24' ' ' ARG . 0.1 OUTLIER -66.41 -37.88 86.21 Favored 'General case' 0 C--N 1.383 2.023 0 CA-C-N 121.065 1.757 . . . . 0.0 111.548 172.534 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -60.64 -53.79 53.18 Favored 'General case' 0 C--N 1.359 0.999 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 171.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.488 HD21 ' HG2' ' A' ' 48' ' ' GLU . 5.5 tp -57.27 -43.2 82.87 Favored 'General case' 0 C--N 1.365 1.264 0 C-N-CA 128.274 2.63 . . . . 0.0 114.002 175.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 tt -64.31 -45.91 85.88 Favored 'General case' 0 C--N 1.368 1.375 0 C-N-CA 129.608 3.163 . . . . 0.0 112.668 174.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 56.6 mtm180 -74.33 -45.46 47.13 Favored 'General case' 0 C--N 1.357 0.919 0 N-CA-C 115.297 1.591 . . . . 0.0 115.297 178.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.4 ptt180 -70.94 -48.22 54.68 Favored 'General case' 0 CA--C 1.48 -1.724 0 N-CA-C 117.527 2.417 . . . . 0.0 117.527 175.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.4 mtt180 -83.2 -31.07 27.28 Favored 'General case' 0 N--CA 1.435 -1.204 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 -175.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -111.97 -27.7 8.32 Favored 'General case' 0 C--N 1.362 1.141 0 CA-C-O 117.82 -1.086 . . . . 0.0 113.441 -174.201 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.34 -108.23 2.41 Favored Glycine 0 C--N 1.397 3.934 0 CA-C-N 123.156 2.707 . . . . 0.0 113.029 -175.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.8 p -135.1 108.28 7.72 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 100.475 -3.898 . . . . 0.0 100.475 168.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -141.16 139.95 33.98 Favored 'General case' 0 CA--C 1.505 -0.782 0 C-N-CA 125.178 1.391 . . . . 0.0 109.616 -177.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.08 110.78 5.96 Favored 'General case' 0 C--N 1.371 1.503 0 O-C-N 120.428 -1.42 . . . . 0.0 109.563 168.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.5 p -147.17 156.2 10.69 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.439 0 O-C-N 119.296 -2.127 . . . . 0.0 106.946 -166.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.408 ' CD2' ' O ' ' A' ' 88' ' ' TRP . 64.5 t-80 -85.75 119.8 26.48 Favored 'General case' 0 C--N 1.367 1.355 0 CA-C-O 123.155 1.455 . . . . 0.0 108.752 176.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -52.31 -32.82 39.66 Favored 'General case' 0 C--N 1.349 0.561 0 C-N-CA 130.186 3.394 . . . . 0.0 116.216 -178.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.291 3.5 t-20 -71.42 -28.11 63.76 Favored 'General case' 0 C--N 1.363 1.166 0 O-C-N 120.394 -1.441 . . . . 0.0 111.489 176.259 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.3 mt -66.29 -40.98 88.21 Favored 'Isoleucine or valine' 0 C--N 1.376 1.723 0 C-N-CA 128.22 2.608 . . . . 0.0 109.944 170.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.2 m -73.3 -39.53 55.85 Favored 'Isoleucine or valine' 0 C--N 1.359 0.982 0 C-N-CA 125.128 1.371 . . . . 0.0 112.239 178.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.444 ' CE2' ' CE1' ' A' ' 23' ' ' PHE . 0.4 OUTLIER -65.21 -50.98 63.77 Favored 'General case' 0 C--N 1.376 1.731 0 C-N-CA 129.837 3.255 . . . . 0.0 110.256 176.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -61.74 -31.95 72.16 Favored 'General case' 0 C--N 1.373 1.591 0 C-N-CA 127.126 2.171 . . . . 0.0 113.522 172.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.488 ' HG2' HD21 ' A' ' 30' ' ' LEU . 18.9 tt0 -69.24 -44.02 72.83 Favored 'General case' 0 C--N 1.365 1.256 0 C-N-CA 124.189 0.995 . . . . 0.0 113.206 171.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.499 ' CE2' HG23 ' A' ' 50' ' ' ILE 0.362 0.1 OUTLIER -68.05 -52.05 39.73 Favored 'General case' 0 C--N 1.362 1.13 0 C-N-CA 128.144 2.577 . . . . 0.0 113.41 175.075 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.499 HG23 ' CE2' ' A' ' 49' ' ' TYR . 0.5 OUTLIER -71.86 -18.63 19.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 N-CA-C 118.23 2.678 . . . . 0.0 118.23 -179.534 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 65.9 m -66.0 0.48 1.87 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 126.444 1.898 . . . . 0.0 115.384 175.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 57.7 m-70 -91.23 -137.65 0.15 Allowed 'General case' 0 C--N 1.358 0.953 0 C-N-CA 129.766 3.226 . . . . 0.0 107.218 172.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.34 -37.03 53.21 Favored 'General case' 0 C--N 1.357 0.925 0 N-CA-C 117.129 2.27 . . . . 0.0 117.129 177.112 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -78.43 11.74 2.31 Favored 'General case' 0 CA--C 1.502 -0.894 1 N-CA-C 123.727 4.714 . . . . 0.0 123.727 -160.019 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . 0.37 5.7 t-160 -28.94 48.09 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.311 1 N-CA-C 126.125 5.602 . . . . 0.0 126.125 -172.018 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.461 HG23 ' HB3' ' A' ' 60' ' ' ALA . 7.3 mt -88.11 93.82 4.4 Favored 'Isoleucine or valine' 0 C--N 1.367 1.329 0 C-N-CA 131.454 3.902 . . . . 0.0 104.7 169.047 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.497 ' HD2' ' H ' ' A' ' 58' ' ' MET . 1.9 t-160 -92.24 -176.01 4.22 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 125.667 1.587 . . . . 0.0 107.642 -179.267 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.497 ' H ' ' HD2' ' A' ' 57' ' ' HIS . 2.0 ttm -56.85 -12.51 1.98 Allowed 'General case' 0 CA--C 1.549 0.937 0 O-C-N 118.239 -2.788 . . . . 0.0 113.942 170.351 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -85.72 -9.44 57.15 Favored 'General case' 0 CA--C 1.574 1.899 1 C-N-CA 134.056 4.942 . . . . 0.0 112.445 174.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.461 ' HB3' HG23 ' A' ' 56' ' ' ILE . . . -124.57 55.57 1.32 Allowed 'General case' 0 C--N 1.371 1.53 0 C-N-CA 126.895 2.078 . . . . 0.0 110.734 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 9.7 t -179.86 175.99 0.79 Allowed 'General case' 0 C--N 1.363 1.188 0 O-C-N 120.513 -1.367 . . . . 0.0 108.587 -173.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -83.36 -10.9 58.18 Favored 'General case' 0 C--N 1.366 1.295 0 C-N-CA 127.573 2.349 . . . . 0.0 115.746 -173.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -103.01 97.4 7.51 Favored 'General case' 0 N--CA 1.441 -0.911 0 C-N-CA 128.155 2.582 . . . . 0.0 107.612 -177.223 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -75.67 -42.84 50.17 Favored 'General case' 0 C--N 1.361 1.073 0 C-N-CA 127.396 2.279 . . . . 0.0 112.411 -177.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -110.33 142.41 42.0 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 103.322 -2.844 . . . . 0.0 103.322 179.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.9 tp -52.76 -31.87 40.44 Favored 'General case' 0 C--N 1.378 1.825 0 C-N-CA 128.562 2.745 . . . . 0.0 114.675 -174.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.573 HG23 ' CZ2' ' A' ' 88' ' ' TRP . 29.3 m -56.35 -44.31 79.97 Favored 'General case' 0 CA--C 1.497 -1.088 1 C-N-CA 134.273 5.029 . . . . 0.0 110.66 -179.305 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.93 -27.09 62.58 Favored 'General case' 0 C--N 1.36 1.061 0 N-CA-C 117.393 2.368 . . . . 0.0 117.393 173.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.505 ' CZ ' HD22 ' A' ' 73' ' ' LEU . 26.8 t80 -72.45 -37.88 68.42 Favored 'General case' 0 C--N 1.365 1.273 0 C-N-CA 125.497 1.519 . . . . 0.0 110.164 171.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.5 ' HB ' HG21 ' A' ' 81' ' ' VAL . 1.0 OUTLIER -71.22 -36.84 72.01 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 126.72 2.008 . . . . 0.0 112.222 176.092 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.3 mmtt -62.09 -38.16 87.82 Favored 'General case' 0 C--N 1.383 2.054 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 168.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 79.9 t90 -80.71 -56.53 4.08 Favored 'General case' 0 C--N 1.364 1.221 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 178.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.505 HD22 ' CZ ' ' A' ' 69' ' ' PHE . 0.2 OUTLIER -65.13 -35.36 80.88 Favored 'General case' 0 C--N 1.364 1.224 0 N-CA-C 116.865 2.172 . . . . 0.0 116.865 -178.285 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -59.66 -27.58 64.08 Favored Glycine 0 C--N 1.361 1.932 0 C-N-CA 127.675 2.559 . . . . 0.0 114.704 170.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -83.6 -18.78 37.05 Favored 'General case' 0 CA--C 1.506 -0.737 0 N-CA-C 116.387 1.995 . . . . 0.0 116.387 -177.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -85.01 -18.54 34.11 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 124.776 1.23 . . . . 0.0 112.751 -175.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 90.51 24.92 27.13 Favored Glycine 0 C--N 1.37 2.445 0 C-N-CA 120.429 -0.891 . . . . 0.0 111.222 -176.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -104.59 -36.1 7.61 Favored 'General case' 0 CA--C 1.48 -1.743 0 C-N-CA 123.852 0.861 . . . . 0.0 109.724 174.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 92' ' ' TYR . 22.6 m -134.27 151.08 51.08 Favored 'General case' 0 C--O 1.222 -0.382 0 N-CA-C 116.793 2.146 . . . . 0.0 116.793 -179.036 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -104.12 143.74 32.5 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 127.475 2.31 . . . . 0.0 107.183 171.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.5 HG21 ' HB ' ' A' ' 70' ' ' THR . 0.1 OUTLIER -129.05 142.34 44.29 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.599 0 O-C-N 118.833 -2.417 . . . . 0.0 112.009 -175.3 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -139.89 150.95 45.21 Favored 'General case' 0 C--N 1.364 1.233 0 C-N-CA 125.699 1.6 . . . . 0.0 109.257 176.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -123.4 139.65 53.82 Favored 'General case' 0 C--N 1.369 1.429 0 O-C-N 120.507 -1.371 . . . . 0.0 112.301 -179.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.451 ' HB ' ' CD ' ' A' ' 85' ' ' PRO . 71.4 p -121.03 176.68 1.77 Allowed Pre-proline 0 C--N 1.358 0.97 0 C-N-CA 131.156 3.782 . . . . 0.0 109.375 -178.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.451 ' CD ' ' HB ' ' A' ' 84' ' ' THR . 16.9 Cg_exo -70.61 -1.49 9.26 Favored 'Trans proline' 0 N--CA 1.443 -1.49 0 N-CA-C 117.797 2.191 . . . . 0.0 117.797 165.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -111.02 -6.54 14.63 Favored 'General case' 0 C--N 1.361 1.1 0 CA-C-N 120.4 1.455 . . . . 0.0 114.163 -176.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 150.91 -164.64 30.03 Favored Glycine 0 C--N 1.359 1.813 0 O-C-N 120.631 -1.293 . . . . 0.0 112.943 -172.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.573 ' CZ2' HG23 ' A' ' 67' ' ' THR . 20.5 m95 -105.59 131.42 53.0 Favored 'General case' 0 C--N 1.359 0.985 0 CA-C-O 124.265 1.984 . . . . 0.0 107.417 171.16 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -116.2 125.7 52.63 Favored 'General case' 0 CA--C 1.5 -0.953 0 N-CA-C 103.34 -2.837 . . . . 0.0 103.34 -179.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -115.64 138.35 46.32 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.836 0 C-N-CA 126.527 1.931 . . . . 0.0 106.105 -179.414 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -121.17 120.37 35.05 Favored 'General case' 0 CA--C 1.49 -1.342 0 N-CA-C 102.587 -3.116 . . . . 0.0 102.587 171.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.462 ' HA ' ' HA ' ' A' ' 79' ' ' CYS 0.495 0.2 OUTLIER -73.84 147.31 43.43 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.945 1.698 . . . . 0.0 112.337 179.399 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . 0.272 2.3 mm -86.33 120.31 35.86 Favored 'Isoleucine or valine' 0 C--N 1.355 0.81 1 C-N-CA 134.083 4.953 . . . . 0.0 104.496 -176.828 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . 0.401 1.1 p30 -83.84 85.38 7.31 Favored 'General case' 0 C--N 1.366 1.313 0 CA-C-N 122.935 2.607 . . . . 0.0 111.545 179.015 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -27.07 -100.82 0.0 OUTLIER 'General case' 0 C--N 1.354 0.79 1 C-N-CA 134.961 5.305 . . . . 0.0 115.627 175.13 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -102.56 121.47 49.65 Favored Pre-proline 0 C--N 1.35 0.6 0 CA-C-O 113.857 -2.973 . . . . 0.0 105.405 163.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_exo -55.33 -25.34 47.08 Favored 'Trans proline' 0 C--N 1.358 1.07 2 C-N-CA 126.992 5.128 . . . . 0.0 117.017 -176.533 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -54.04 -44.63 71.17 Favored 'General case' 0 C--N 1.364 1.236 0 C-N-CA 129.193 2.997 . . . . 0.0 110.771 167.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -57.3 -47.19 82.14 Favored 'General case' 0 C--N 1.369 1.421 0 C-N-CA 126.756 2.023 . . . . 0.0 114.142 175.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.8 mp -66.78 -50.02 69.24 Favored 'Isoleucine or valine' 0 C--N 1.365 1.252 1 C-N-CA 131.822 4.049 . . . . 0.0 110.784 175.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 75.4 mtm-85 -69.05 -34.66 75.53 Favored 'General case' 0 C--N 1.361 1.071 0 O-C-N 119.241 -2.162 . . . . 0.0 113.237 177.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 -66.18 -33.47 75.85 Favored 'General case' 0 C--N 1.376 1.753 0 C-N-CA 126.089 1.756 . . . . 0.0 111.27 168.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . 0.319 1.0 OUTLIER -63.71 -59.55 4.44 Favored 'General case' 0 C--N 1.359 0.995 0 N-CA-C 115.999 1.851 . . . . 0.0 115.999 168.311 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.3 -38.88 75.07 Favored 'General case' 0 C--N 1.345 0.387 0 N-CA-C 115.548 1.684 . . . . 0.0 115.548 -176.097 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -82.08 -47.78 12.17 Favored 'General case' 0 C--N 1.362 1.128 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 -178.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 11.8 mt -83.08 -57.67 3.18 Favored 'General case' 0 C--N 1.359 1.002 0 N-CA-C 115.734 1.753 . . . . 0.0 115.734 -176.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -60.82 -16.79 44.92 Favored 'General case' 0 C--N 1.37 1.465 0 C-N-CA 128.754 2.821 . . . . 0.0 116.325 -176.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 36.1 mtmt -105.81 -22.43 12.93 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 113.647 -1.615 . . . . 0.0 114.552 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -107.36 -35.47 6.78 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 124.561 1.144 . . . . 0.0 113.935 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -121.5 49.48 1.52 Allowed 'General case' 0 C--N 1.358 0.977 0 C-N-CA 124.65 1.18 . . . . 0.0 111.342 -174.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? . . . . . 0 C--N 1.354 0.777 0 O-C-N 120.659 -1.276 . . . . 0.0 109.393 178.82 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.489 -1.546 0 N-CA-C 108.277 -1.929 . . . . 0.0 108.277 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -154.26 -65.14 0.14 Allowed 'General case' 0 CA--C 1.509 -0.609 0 CA-C-O 122.967 1.365 . . . . 0.0 108.691 -177.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -106.55 80.21 1.45 Allowed 'General case' 0 N--CA 1.442 -0.826 0 C-N-CA 127.418 2.287 . . . . 0.0 110.981 -174.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -168.93 -60.34 0.02 OUTLIER 'General case' 0 CA--C 1.501 -0.919 0 C-N-CA 124.135 0.974 . . . . 0.0 108.391 178.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 mm? 74.03 53.96 0.1 Allowed 'General case' 0 C--N 1.364 1.233 0 C-N-CA 128.415 2.686 . . . . 0.0 110.948 -178.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.9 mt -84.92 140.39 31.14 Favored 'General case' 0 C--N 1.359 0.995 0 N-CA-C 116.421 2.008 . . . . 0.0 116.421 -176.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 27.1 mt -120.53 12.2 11.5 Favored 'General case' 0 C--N 1.359 1.018 0 C-N-CA 126.421 1.888 . . . . 0.0 109.994 175.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 74.85 -81.57 0.03 OUTLIER 'General case' 0 C--N 1.357 0.903 0 C-N-CA 127.351 2.261 . . . . 0.0 112.501 177.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.8 t 62.95 40.94 8.93 Favored 'General case' 0 C--N 1.365 1.261 0 C-N-CA 129.583 3.153 . . . . 0.0 115.698 174.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -112.97 -110.88 0.35 Allowed 'General case' 0 C--N 1.358 0.96 0 C-N-CA 125.669 1.588 . . . . 0.0 111.752 -178.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 22.9 m-20 68.68 78.99 0.22 Allowed Pre-proline 0 C--N 1.366 1.304 0 C-N-CA 130.339 3.456 . . . . 0.0 114.329 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -69.8 55.99 1.35 Allowed 'Trans proline' 0 CA--C 1.548 1.178 0 C-N-CA 124.985 3.79 . . . . 0.0 119.0 -170.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -80.16 -65.05 1.05 Allowed 'General case' 0 C--N 1.363 1.165 0 C-N-CA 130.511 3.525 . . . . 0.0 110.633 179.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -66.72 -19.96 65.87 Favored 'General case' 0 C--N 1.365 1.281 0 C-N-CA 126.395 1.878 . . . . 0.0 113.831 174.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -89.16 -0.84 57.77 Favored 'General case' 0 C--N 1.361 1.087 0 C-N-CA 126.53 1.932 . . . . 0.0 111.955 173.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.435 ' HE2' ' CZ2' ' A' ' 63' ' ' TRP . 1.8 tmt? -74.67 -31.14 61.83 Favored 'General case' 0 C--N 1.381 1.972 0 O-C-N 120.25 -1.531 . . . . 0.0 110.172 172.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -62.36 -44.25 96.9 Favored 'General case' 0 C--N 1.363 1.182 0 O-C-N 120.234 -1.541 . . . . 0.0 112.602 170.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -70.31 -53.41 16.9 Favored 'General case' 0 C--N 1.362 1.125 0 C-N-CA 126.795 2.038 . . . . 0.0 115.454 173.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.277 28.7 m-85 -74.79 -39.73 61.56 Favored 'General case' 0 C--N 1.369 1.455 0 C-N-CA 126.839 2.056 . . . . 0.0 115.679 179.375 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . 0.304 1.4 t -66.87 -30.11 70.18 Favored 'General case' 0 C--N 1.375 1.681 0 C-N-CA 125.128 1.371 . . . . 0.0 112.407 175.435 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -69.9 -35.22 74.44 Favored 'General case' 0 C--N 1.37 1.478 0 C-N-CA 124.714 1.206 . . . . 0.0 113.947 170.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -75.71 -49.92 16.86 Favored 'General case' 0 C--N 1.37 1.476 0 CA-C-N 120.284 1.402 . . . . 0.0 112.753 171.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.463 ' CE2' ' CE1' ' A' ' 46' ' ' TYR . 23.3 t80 -60.58 -52.37 65.46 Favored 'General case' 0 C--N 1.375 1.707 0 C-N-CA 128.041 2.536 . . . . 0.0 112.876 179.27 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.554 HH11 ' HG ' ' A' ' 28' ' ' LEU 0.431 0.0 OUTLIER -70.49 -28.88 65.33 Favored 'General case' 0 C--N 1.358 0.952 0 N-CA-C 115.587 1.699 . . . . 0.0 115.587 -178.748 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -71.31 -52.31 19.5 Favored 'General case' 0 C--N 1.363 1.156 0 N-CA-C 115.148 1.536 . . . . 0.0 115.148 171.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -76.55 -39.06 53.92 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 124.769 1.227 . . . . 0.0 112.879 -179.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -70.8 -42.38 70.39 Favored 'General case' 0 C--N 1.365 1.271 0 CA-C-O 116.348 -1.787 . . . . 0.0 112.146 174.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.649 HD11 HD13 ' A' ' 78' ' ' LEU . 14.6 mt -66.3 -38.81 88.6 Favored 'General case' 0 C--N 1.386 2.16 0 CA-C-N 123.31 2.777 . . . . 0.0 111.929 173.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -61.13 -51.74 67.8 Favored 'General case' 0 C--N 1.368 1.401 0 N-CA-C 114.629 1.344 . . . . 0.0 114.629 173.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.512 ' O ' ' HB2' ' A' ' 34' ' ' ARG . 4.4 tt -60.1 -42.61 95.04 Favored 'General case' 0 C--N 1.357 0.895 0 C-N-CA 128.281 2.633 . . . . 0.0 113.641 174.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.456 HD11 ' HB2' ' A' ' 92' ' ' TYR . 2.3 tt -59.13 -50.23 74.83 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 127.293 2.237 . . . . 0.0 113.336 170.444 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -64.95 -38.46 91.06 Favored 'General case' 0 C--N 1.365 1.275 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 175.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.572 ' HA ' ' HB3' ' A' ' 103' ' ' GLN 0.261 8.5 ptt-85 -73.72 -52.99 11.4 Favored 'General case' 0 CA--C 1.466 -2.262 0 CA-C-N 122.855 2.57 . . . . 0.0 115.46 170.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.512 ' HB2' ' O ' ' A' ' 30' ' ' LEU . 4.4 mmt85 -83.4 -30.91 26.99 Favored 'General case' 0 N--CA 1.425 -1.676 0 CA-C-N 112.797 -2.002 . . . . 0.0 115.164 -161.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -114.36 -23.15 9.53 Favored 'General case' 0 C--N 1.362 1.126 0 C-N-CA 124.05 0.94 . . . . 0.0 111.936 -174.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.91 -103.51 2.12 Favored Glycine 0 C--N 1.384 3.207 0 O-C-N 119.428 -2.045 . . . . 0.0 111.749 -177.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.7 p -147.81 108.72 4.22 Favored 'General case' 0 N--CA 1.444 -0.764 1 N-CA-C 98.407 -4.664 . . . . 0.0 98.407 165.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.1 ttmm -145.67 143.42 29.79 Favored 'General case' 0 CA--C 1.504 -0.799 0 C-N-CA 124.914 1.285 . . . . 0.0 108.784 -176.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.9 107.64 4.13 Favored 'General case' 0 CA--C 1.567 1.606 0 C-N-CA 125.07 1.348 . . . . 0.0 110.369 175.372 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.5 p -151.49 154.98 7.48 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.303 0 O-C-N 118.995 -2.316 . . . . 0.0 105.924 -170.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.614 ' HE2' ' H ' ' A' ' 88' ' ' TRP . 7.9 t-80 -76.45 139.75 40.99 Favored 'General case' 0 C--N 1.358 0.96 0 CA-C-N 120.148 1.34 . . . . 0.0 110.106 178.19 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.523 ' HB2' HD21 ' A' ' 66' ' ' LEU . 2.0 m120 -59.05 -29.64 67.46 Favored 'General case' 0 C--N 1.371 1.542 0 O-C-N 120.19 -1.569 . . . . 0.0 114.128 172.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.371 3.0 t-20 -64.88 -29.13 70.07 Favored 'General case' 0 C--N 1.369 1.456 0 N-CA-C 115.513 1.672 . . . . 0.0 115.513 176.141 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.421 ' HA ' ' ND2' ' A' ' 47' ' ' ASN . 4.9 mt -76.58 -37.17 29.16 Favored 'Isoleucine or valine' 0 C--N 1.369 1.43 0 C-N-CA 127.705 2.402 . . . . 0.0 111.265 171.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.8 m -73.43 -36.62 48.91 Favored 'Isoleucine or valine' 0 C--N 1.362 1.122 0 O-C-N 121.002 -1.061 . . . . 0.0 110.164 174.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.463 ' CE1' ' CE2' ' A' ' 23' ' ' PHE . 0.2 OUTLIER -64.53 -52.9 55.4 Favored 'General case' 0 C--N 1.387 2.21 0 C-N-CA 129.308 3.043 . . . . 0.0 110.016 175.471 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.421 ' ND2' ' HA ' ' A' ' 44' ' ' ILE . 4.3 p30 -62.04 -27.28 68.78 Favored 'General case' 0 C--N 1.376 1.726 0 C-N-CA 127.315 2.246 . . . . 0.0 113.884 175.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -76.35 -45.61 31.22 Favored 'General case' 0 C--N 1.367 1.331 0 C-N-CA 124.957 1.303 . . . . 0.0 111.524 174.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.529 ' CE2' HG23 ' A' ' 50' ' ' ILE . 1.4 t80 -61.35 -47.88 83.87 Favored 'General case' 0 C--N 1.358 0.97 0 C-N-CA 130.777 3.631 . . . . 0.0 114.265 175.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.529 HG23 ' CE2' ' A' ' 49' ' ' TYR . 6.0 pt -80.24 -5.13 7.99 Favored 'Isoleucine or valine' 0 C--N 1.354 0.792 0 N-CA-C 120.525 3.528 . . . . 0.0 120.525 -174.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.5 t -79.04 6.64 8.94 Favored 'General case' 0 CA--C 1.556 1.179 0 CA-C-N 119.36 0.982 . . . . 0.0 112.241 172.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -90.9 -154.35 0.35 Allowed 'General case' 0 CA--C 1.559 1.324 0 C-N-CA 131.574 3.95 . . . . 0.0 106.824 172.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.51 -42.43 64.82 Favored 'General case' 0 C--N 1.363 1.157 0 O-C-N 117.75 -3.094 . . . . 0.0 116.757 -179.538 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -62.08 12.45 0.02 OUTLIER 'General case' 0 N--CA 1.437 -1.108 1 C-N-CA 137.592 6.357 . . . . 0.0 121.287 -172.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.489 ' HD2' ' HB ' ' A' ' 50' ' ' ILE 0.293 6.0 t-160 -38.88 59.31 0.0 OUTLIER 'General case' 0 C--N 1.36 1.063 1 N-CA-C 122.294 4.183 . . . . 0.0 122.294 -173.182 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.57 HG23 ' HB3' ' A' ' 60' ' ' ALA . 59.9 mt -96.97 111.58 27.2 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.865 1 C-N-CA 134.942 5.297 . . . . 0.0 107.778 178.361 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 19.9 t60 -94.98 -177.18 4.07 Favored 'General case' 0 C--N 1.347 0.48 0 CA-C-N 122.759 2.527 . . . . 0.0 109.799 177.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.499 ' HE3' HD12 ' A' ' 66' ' ' LEU . 2.7 tpp -53.49 -22.76 8.65 Favored 'General case' 0 N--CA 1.494 1.774 0 CA-C-O 125.039 2.352 . . . . 0.0 114.468 175.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -84.65 -8.97 58.68 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 129.574 3.15 . . . . 0.0 112.546 179.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.57 ' HB3' HG23 ' A' ' 56' ' ' ILE . . . -99.59 37.46 1.59 Allowed 'General case' 0 C--N 1.368 1.373 0 C-N-CA 127.019 2.127 . . . . 0.0 111.666 173.309 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . 0.303 2.7 t -162.98 163.63 26.03 Favored 'General case' 0 C--N 1.361 1.089 0 C-N-CA 125.543 1.537 . . . . 0.0 108.086 -175.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -75.52 0.18 18.15 Favored 'General case' 0 C--N 1.379 1.882 0 C-N-CA 129.052 2.941 . . . . 0.0 117.714 -172.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.435 ' CZ2' ' HE2' ' A' ' 16' ' ' MET . 3.3 m-90 -96.46 118.5 33.11 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 127.069 2.148 . . . . 0.0 105.88 178.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.403 ' H ' ' HG2' ' A' ' 64' ' ' GLU . 10.1 pt-20 -87.11 -8.89 56.56 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 120.859 1.663 . . . . 0.0 114.345 -178.476 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 27.6 p -134.23 153.88 51.59 Favored 'General case' 0 C--N 1.347 0.46 0 N-CA-C 105.365 -2.087 . . . . 0.0 105.365 -176.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.523 HD21 ' HB2' ' A' ' 42' ' ' ASN . 10.4 tp -65.37 -32.9 74.78 Favored 'General case' 0 C--N 1.372 1.544 0 C-N-CA 127.093 2.157 . . . . 0.0 112.094 179.291 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.48 HG23 ' CE2' ' A' ' 88' ' ' TRP . 52.6 m -57.32 -46.66 83.01 Favored 'General case' 0 C--N 1.358 0.938 1 C-N-CA 135.562 5.545 . . . . 0.0 113.858 175.472 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -72.0 -26.76 62.35 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 126.186 1.795 . . . . 0.0 115.414 178.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -70.48 -38.41 74.39 Favored 'General case' 0 C--N 1.356 0.856 0 C-N-CA 127.998 2.519 . . . . 0.0 110.206 170.421 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.607 ' HB ' HG21 ' A' ' 81' ' ' VAL . 0.7 OUTLIER -71.34 -34.08 70.19 Favored 'General case' 0 C--N 1.356 0.881 0 C-N-CA 126.483 1.913 . . . . 0.0 111.893 173.712 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 49.6 mmtt -64.38 -34.11 77.4 Favored 'General case' 0 C--N 1.377 1.761 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 169.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 85.0 t90 -80.79 -56.94 3.8 Favored 'General case' 0 C--N 1.366 1.304 0 C-N-CA 124.883 1.273 . . . . 0.0 113.488 175.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . 0.426 0.0 OUTLIER -64.55 -34.5 78.4 Favored 'General case' 0 C--N 1.365 1.248 0 C-N-CA 127.495 2.318 . . . . 0.0 116.947 -175.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -56.84 -27.83 56.67 Favored Glycine 0 C--N 1.362 1.974 0 C-N-CA 128.346 2.879 . . . . 0.0 115.175 166.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 70.6 mtp85 -83.66 -18.82 36.76 Favored 'General case' 0 C--N 1.364 1.21 0 N-CA-C 115.733 1.753 . . . . 0.0 115.733 178.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -85.91 -9.56 56.71 Favored 'General case' 0 C--N 1.354 0.766 0 C-N-CA 124.963 1.305 . . . . 0.0 114.367 -175.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.55 25.32 28.27 Favored Glycine 0 C--N 1.364 2.105 0 C-N-CA 123.471 0.558 . . . . 0.0 112.487 -179.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.649 HD13 HD11 ' A' ' 28' ' ' LEU . 0.3 OUTLIER -116.19 -5.18 11.87 Favored 'General case' 0 CA--C 1.5 -0.943 0 CA-C-O 124.066 1.889 . . . . 0.0 110.186 -179.362 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.752 ' SG ' HG23 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -154.53 145.97 23.06 Favored 'General case' 0 CA--C 1.473 -1.996 0 O-C-N 119.254 -2.154 . . . . 0.0 114.654 -178.229 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -115.13 142.68 46.33 Favored 'General case' 0 N--CA 1.424 -1.737 0 N-CA-C 104.563 -2.384 . . . . 0.0 104.563 166.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.752 HG23 ' SG ' ' A' ' 79' ' ' CYS . 0.2 OUTLIER -132.89 150.12 32.61 Favored 'Isoleucine or valine' 0 C--N 1.356 0.876 0 O-C-N 118.895 -2.378 . . . . 0.0 112.546 -170.289 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -148.61 154.47 39.76 Favored 'General case' 0 C--N 1.365 1.276 0 C-N-CA 124.623 1.169 . . . . 0.0 111.498 174.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -117.23 139.59 50.6 Favored 'General case' 0 C--N 1.367 1.339 0 O-C-N 119.886 -1.759 . . . . 0.0 110.672 178.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.445 ' HB ' ' CD ' ' A' ' 85' ' ' PRO . 43.1 p -118.08 176.36 1.67 Allowed Pre-proline 0 C--N 1.359 1.005 0 C-N-CA 129.399 3.08 . . . . 0.0 110.06 -179.647 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.445 ' CD ' ' HB ' ' A' ' 84' ' ' THR . 21.6 Cg_exo -68.81 -1.53 7.85 Favored 'Trans proline' 0 N--CA 1.44 -1.656 0 N-CA-C 118.349 2.403 . . . . 0.0 118.349 166.238 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -115.96 -6.38 12.0 Favored 'General case' 0 C--N 1.362 1.122 0 CA-C-N 120.936 1.698 . . . . 0.0 112.938 -179.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 155.91 -165.23 32.58 Favored Glycine 0 C--N 1.363 2.048 0 O-C-N 120.0 -1.688 . . . . 0.0 115.35 -177.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.614 ' H ' ' HE2' ' A' ' 41' ' ' HIS . 4.8 m95 -105.25 111.18 23.83 Favored 'General case' 0 C--N 1.363 1.187 0 C-N-CA 128.313 2.645 . . . . 0.0 110.777 176.451 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -107.33 140.08 40.8 Favored 'General case' 0 CA--C 1.499 -0.987 0 C-N-CA 127.562 2.345 . . . . 0.0 108.051 -174.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.5 pt -123.91 153.46 29.95 Favored 'Isoleucine or valine' 0 CA--C 1.476 -1.876 0 C-N-CA 127.041 2.137 . . . . 0.0 106.496 178.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -135.14 120.54 19.14 Favored 'General case' 0 N--CA 1.417 -2.079 1 N-CA-C 98.174 -4.75 . . . . 0.0 98.174 171.675 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.456 ' HB2' HD11 ' A' ' 31' ' ' LEU 0.54 0.1 OUTLIER -71.72 147.79 47.04 Favored 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 125.523 1.529 . . . . 0.0 111.263 -178.332 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.5 mt -86.72 115.58 27.88 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.325 0 C-N-CA 126.701 2.0 . . . . 0.0 108.275 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . 0.323 5.7 p-10 -73.57 59.61 0.63 Allowed 'General case' 0 C--N 1.372 1.574 0 N-CA-C 116.935 2.198 . . . . 0.0 116.935 -174.527 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.573 ' HE ' ' HA ' ' A' ' 95' ' ' ARG 0.296 1.2 mmp_? 3.87 -96.2 0.0 OUTLIER 'General case' 0 C--N 1.353 0.759 1 C-N-CA 133.879 4.872 . . . . 0.0 117.738 171.444 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -102.84 113.3 65.99 Favored Pre-proline 0 C--N 1.351 0.633 0 CA-C-O 113.555 -3.117 . . . . 0.0 103.333 158.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -56.37 -24.14 50.3 Favored 'Trans proline' 0 C--N 1.357 0.976 2 C-N-CA 127.034 5.156 . . . . 0.0 116.939 -170.363 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -64.74 -29.35 70.33 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 125.29 1.436 . . . . 0.0 113.424 169.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -64.74 -43.07 94.55 Favored 'General case' 0 C--N 1.365 1.246 0 O-C-N 119.052 -2.28 . . . . 0.0 110.374 173.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.401 HD12 ' H ' ' A' ' 100' ' ' ILE . 4.8 mp -72.14 -50.55 35.98 Favored 'Isoleucine or valine' 0 C--N 1.358 0.935 0 C-N-CA 130.129 3.372 . . . . 0.0 112.662 177.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 23.0 mmm180 -71.8 -27.19 62.77 Favored 'General case' 0 C--N 1.363 1.183 0 O-C-N 119.543 -1.973 . . . . 0.0 114.741 178.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.542 ' HE ' ' HG ' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -78.9 -34.59 44.58 Favored 'General case' 0 C--N 1.372 1.56 0 O-C-N 120.463 -1.398 . . . . 0.0 108.822 172.92 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.572 ' HB3' ' HA ' ' A' ' 33' ' ' ARG . 31.3 mt-30 -63.4 -34.29 77.42 Favored 'General case' 0 C--N 1.378 1.818 0 N-CA-C 115.289 1.589 . . . . 0.0 115.289 175.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.88 -53.84 5.83 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 124.554 1.142 . . . . 0.0 112.746 174.522 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -83.53 -58.6 2.75 Favored 'General case' 0 C--N 1.364 1.236 0 N-CA-C 119.612 3.19 . . . . 0.0 119.612 -173.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.542 ' HG ' ' HE ' ' A' ' 102' ' ' ARG . 3.6 mt -83.44 -49.98 8.76 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 126.884 2.073 . . . . 0.0 115.699 -172.107 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -60.04 -22.27 62.45 Favored 'General case' 0 C--N 1.375 1.694 0 C-N-CA 128.461 2.704 . . . . 0.0 113.713 -178.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -85.85 -3.0 58.8 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 111.971 -2.377 . . . . 0.0 115.492 178.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -90.43 86.48 6.46 Favored 'General case' 0 C--N 1.353 0.744 0 C-N-CA 126.627 1.971 . . . . 0.0 109.905 177.344 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -85.49 82.94 8.08 Favored 'General case' 0 C--N 1.353 0.737 0 C-N-CA 126.046 1.738 . . . . 0.0 111.002 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 84.9 tttt . . . . . 0 C--N 1.353 0.726 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 -179.951 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.495 -1.201 0 N-CA-C 110.401 -1.08 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 -148.31 -73.24 0.19 Allowed 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 105.696 -1.964 . . . . 0.0 105.696 176.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.21 81.8 1.93 Allowed 'General case' 0 C--N 1.353 0.742 0 C-N-CA 123.892 0.877 . . . . 0.0 109.518 -177.308 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.8 pm0 -102.45 -9.65 20.07 Favored 'General case' 0 C--N 1.361 1.067 0 C-N-CA 125.535 1.534 . . . . 0.0 113.07 179.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 mt 73.7 -56.71 0.64 Allowed 'General case' 0 C--N 1.358 0.962 0 C-N-CA 129.962 3.305 . . . . 0.0 112.911 176.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . 0.257 0.4 OUTLIER 77.55 -154.87 0.03 OUTLIER 'General case' 0 C--N 1.354 0.804 0 C-N-CA 130.816 3.646 . . . . 0.0 113.82 175.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 56.4 mt -119.37 10.25 11.86 Favored 'General case' 0 CA--C 1.501 -0.941 0 C-N-CA 125.555 1.542 . . . . 0.0 109.341 175.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 67.91 -60.41 0.4 Allowed 'General case' 0 C--N 1.364 1.213 0 N-CA-C 117.035 2.235 . . . . 0.0 117.035 175.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.349 82.7 p 83.49 -115.53 0.01 OUTLIER 'General case' 0 C--N 1.356 0.879 0 C-N-CA 129.623 3.169 . . . . 0.0 113.195 178.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -157.55 -168.14 2.48 Favored 'General case' 0 N--CA 1.431 -1.417 0 N-CA-C 105.643 -1.984 . . . . 0.0 105.643 -178.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 83.24 76.97 0.08 OUTLIER Pre-proline 0 C--N 1.354 0.79 0 C-N-CA 127.716 2.407 . . . . 0.0 113.358 174.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_endo -77.51 72.14 6.14 Favored 'Trans proline' 0 C--N 1.362 1.266 0 C-N-CA 124.699 3.6 . . . . 0.0 113.373 -175.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 -106.08 -52.45 2.8 Favored 'General case' 0 C--N 1.355 0.83 0 C-N-CA 126.457 1.903 . . . . 0.0 108.755 178.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.6 mm100 -67.94 -6.02 19.96 Favored 'General case' 0 C--N 1.37 1.491 0 C-N-CA 129.748 3.219 . . . . 0.0 114.526 178.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -109.06 0.3 19.84 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 126.889 2.076 . . . . 0.0 109.396 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -67.08 -29.87 69.75 Favored 'General case' 0 C--N 1.384 2.088 0 C-N-CA 125.109 1.363 . . . . 0.0 113.85 176.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -64.92 -49.83 68.88 Favored 'General case' 0 C--N 1.361 1.09 0 O-C-N 120.39 -1.444 . . . . 0.0 113.014 174.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -70.55 -52.15 23.66 Favored 'General case' 0 C--N 1.363 1.165 0 C-N-CA 126.996 2.118 . . . . 0.0 115.5 172.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.271 21.2 m-85 -73.59 -34.48 65.11 Favored 'General case' 0 C--N 1.371 1.502 0 O-C-N 121.033 -1.042 . . . . 0.0 113.195 -177.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . 0.311 1.7 t -71.15 -30.04 65.96 Favored 'General case' 0 C--N 1.374 1.634 0 O-C-N 120.683 -1.26 . . . . 0.0 111.847 170.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.433 ' O ' ' HB2' ' A' ' 25' ' ' ASN . 87.5 tt0 -69.98 -49.56 50.35 Favored 'General case' 0 C--N 1.372 1.569 0 CA-C-N 120.225 1.375 . . . . 0.0 113.026 170.399 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -72.33 -32.53 66.61 Favored 'General case' 0 C--N 1.371 1.529 0 CA-C-N 120.973 1.715 . . . . 0.0 114.619 177.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -73.09 -53.59 10.68 Favored 'General case' 0 C--N 1.374 1.644 0 O-C-N 120.394 -1.441 . . . . 0.0 111.305 170.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.345 0.0 OUTLIER -70.53 -31.24 68.22 Favored 'General case' 0 C--N 1.365 1.27 0 N-CA-C 116.139 1.903 . . . . 0.0 116.139 -178.633 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.433 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 3.0 m-80 -71.0 -50.98 28.23 Favored 'General case' 0 C--N 1.371 1.533 0 CA-C-N 121.481 1.946 . . . . 0.0 114.199 172.364 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -76.08 -35.9 59.19 Favored 'General case' 0 C--N 1.367 1.344 0 N-CA-C 114.074 1.139 . . . . 0.0 114.074 -178.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -68.29 -38.27 81.49 Favored 'General case' 0 C--N 1.374 1.644 0 C-N-CA 125.939 1.696 . . . . 0.0 111.158 174.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.08 -43.03 83.65 Favored 'General case' 0 C--N 1.382 2.021 0 C-N-CA 125.499 1.52 . . . . 0.0 109.109 172.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.08 -52.42 63.26 Favored 'General case' 0 C--N 1.356 0.871 0 N-CA-C 115.468 1.655 . . . . 0.0 115.468 172.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . 0.45 0.0 OUTLIER -72.54 -34.38 67.49 Favored 'General case' 0 C--N 1.374 1.663 0 N-CA-C 116.386 1.995 . . . . 0.0 116.386 173.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 tt -58.92 -51.06 71.67 Favored 'General case' 0 C--N 1.369 1.451 0 C-N-CA 128.914 2.886 . . . . 0.0 111.256 171.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.4 mtp180 -64.35 -45.77 86.36 Favored 'General case' 0 C--N 1.363 1.169 0 C-N-CA 127.828 2.451 . . . . 0.0 114.417 174.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.547 HH21 ' HG2' ' A' ' 107' ' ' GLU 0.38 2.0 ptp180 -72.46 -51.99 17.78 Favored 'General case' 0 C--N 1.375 1.704 0 N-CA-C 121.359 3.837 . . . . 0.0 121.359 170.016 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -83.2 -31.43 27.09 Favored 'General case' 0 C--N 1.349 0.562 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 -170.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -113.07 -33.77 5.92 Favored 'General case' 0 C--N 1.354 0.793 0 C-N-CA 125.234 1.414 . . . . 0.0 112.032 -174.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.72 -116.13 4.56 Favored Glycine 0 C--N 1.388 3.439 0 O-C-N 119.856 -1.777 . . . . 0.0 111.709 -167.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.4 p -126.43 108.51 11.26 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 101.083 -3.673 . . . . 0.0 101.083 170.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.6 ttmt -150.13 150.36 31.55 Favored 'General case' 0 CA--C 1.512 -0.511 0 C-N-CA 124.594 1.157 . . . . 0.0 108.756 179.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.29 107.76 5.07 Favored 'General case' 0 C--N 1.363 1.16 0 C-N-CA 126.345 1.858 . . . . 0.0 110.931 174.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.5 p -151.26 154.81 7.83 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.352 0 N-CA-C 104.966 -2.235 . . . . 0.0 104.966 -171.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -85.24 134.74 34.13 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 126.471 1.908 . . . . 0.0 111.19 -177.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.463 ' HB2' HD21 ' A' ' 66' ' ' LEU 0.291 0.6 OUTLIER -57.65 -32.62 67.46 Favored 'General case' 0 C--N 1.379 1.85 0 N-CA-C 115.721 1.748 . . . . 0.0 115.721 -178.538 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.564 ' O ' ' HB3' ' A' ' 47' ' ' ASN 0.267 10.3 m120 -63.0 -27.71 69.6 Favored 'General case' 0 C--N 1.371 1.516 0 CA-C-O 116.125 -1.893 . . . . 0.0 112.594 168.689 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.1 mt -76.74 -37.28 28.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 CA-C-N 124.634 3.379 . . . . 0.0 112.885 171.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.2 m -73.85 -40.38 53.13 Favored 'Isoleucine or valine' 0 C--N 1.361 1.071 0 C-N-CA 124.225 1.01 . . . . 0.0 111.744 174.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.98 -52.92 57.37 Favored 'General case' 0 C--N 1.394 2.525 0 C-N-CA 129.226 3.011 . . . . 0.0 107.442 173.018 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.564 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 0.1 OUTLIER -60.03 -26.79 66.38 Favored 'General case' 0 C--N 1.362 1.14 0 CA-C-N 121.675 2.034 . . . . 0.0 116.46 175.766 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -77.35 -50.07 13.57 Favored 'General case' 0 C--N 1.363 1.157 0 C-N-CA 124.175 0.99 . . . . 0.0 110.795 174.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -56.69 -40.05 74.89 Favored 'General case' 0 C--N 1.366 1.316 1 C-N-CA 132.222 4.209 . . . . 0.0 112.671 175.565 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.502 HG23 ' CD2' ' A' ' 55' ' ' HIS . 1.0 OUTLIER -58.05 -28.33 33.81 Favored 'Isoleucine or valine' 0 C--N 1.354 0.797 0 C-N-CA 131.087 3.755 . . . . 0.0 113.646 -175.532 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 94.7 p -81.76 -3.74 54.57 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 117.388 2.366 . . . . 0.0 117.388 -176.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -96.99 -141.83 0.29 Allowed 'General case' 0 C--N 1.363 1.18 0 C-N-CA 127.186 2.194 . . . . 0.0 111.847 -176.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.39 -43.11 42.04 Favored 'General case' 0 C--N 1.375 1.684 0 O-C-N 118.91 -2.369 . . . . 0.0 113.914 179.511 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -64.01 12.01 0.04 OUTLIER 'General case' 0 N--CA 1.44 -0.955 1 C-N-CA 139.461 7.104 . . . . 0.0 118.527 -174.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.502 ' CD2' HG23 ' A' ' 50' ' ' ILE . 6.5 t-160 -54.73 72.8 0.0 OUTLIER 'General case' 0 C--N 1.361 1.071 0 C-N-CA 129.376 3.07 . . . . 0.0 117.929 -175.099 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.452 HG23 ' HB3' ' A' ' 60' ' ' ALA . 68.7 mt -103.17 141.19 19.51 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.084 1 C-N-CA 132.763 4.425 . . . . 0.0 105.016 176.906 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.475 ' CG ' HD22 ' A' ' 59' ' ' ASN . 3.5 t-160 -107.84 161.21 15.11 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 106.565 -1.642 . . . . 0.0 106.565 170.381 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -51.52 -25.36 6.49 Favored 'General case' 0 N--CA 1.49 1.555 1 C-N-CA 132.584 4.353 . . . . 0.0 116.436 -177.066 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.475 HD22 ' CG ' ' A' ' 57' ' ' HIS 0.316 13.0 m-80 -80.21 -20.52 44.49 Favored 'General case' 0 N--CA 1.427 -1.579 1 C-N-CA 134.679 5.191 . . . . 0.0 110.674 -174.602 . . . . . . . . 4 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.452 ' HB3' HG23 ' A' ' 56' ' ' ILE . . . -94.72 46.97 1.15 Allowed 'General case' 0 C--N 1.383 2.063 0 C-N-CA 128.026 2.53 . . . . 0.0 111.552 169.486 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.5 p -146.04 172.03 13.99 Favored 'General case' 0 C--N 1.353 0.738 0 N-CA-C 104.655 -2.35 . . . . 0.0 104.655 -176.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -92.14 1.72 57.03 Favored 'General case' 0 C--N 1.374 1.663 0 CA-C-O 124.472 2.082 . . . . 0.0 112.466 178.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 2.5 m-90 -94.27 108.59 20.47 Favored 'General case' 0 N--CA 1.439 -1.003 0 C-N-CA 127.969 2.508 . . . . 0.0 106.464 176.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -74.22 -12.58 60.61 Favored 'General case' 0 C--N 1.357 0.905 0 N-CA-C 115.694 1.739 . . . . 0.0 115.694 -177.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 38.8 p -138.85 155.9 47.75 Favored 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 104.477 -2.416 . . . . 0.0 104.477 -179.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.463 HD21 ' HB2' ' A' ' 42' ' ' ASN . 5.9 tp -64.98 -29.02 69.91 Favored 'General case' 0 C--N 1.368 1.373 0 C-N-CA 128.127 2.571 . . . . 0.0 112.62 176.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.551 HG23 ' CZ2' ' A' ' 88' ' ' TRP . 41.4 m -59.63 -43.72 93.74 Favored 'General case' 0 C--N 1.36 1.04 1 C-N-CA 135.773 5.629 . . . . 0.0 111.751 177.502 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.97 -26.35 62.22 Favored 'General case' 0 C--N 1.357 0.914 0 C-N-CA 126.83 2.052 . . . . 0.0 115.682 176.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -74.62 -37.63 62.76 Favored 'General case' 0 C--N 1.358 0.962 0 C-N-CA 127.385 2.274 . . . . 0.0 109.4 173.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.597 ' HB ' HG21 ' A' ' 81' ' ' VAL . 1.6 p -71.58 -34.45 69.93 Favored 'General case' 0 C--N 1.355 0.826 0 C-N-CA 126.959 2.103 . . . . 0.0 110.76 172.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.1 mmtt -62.9 -37.16 85.83 Favored 'General case' 0 C--N 1.375 1.691 0 N-CA-C 116.084 1.883 . . . . 0.0 116.084 167.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 90.7 t90 -80.83 -49.46 11.05 Favored 'General case' 0 C--N 1.368 1.403 0 C-N-CA 127.331 2.252 . . . . 0.0 113.948 178.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . 0.303 5.2 tp -65.39 -33.97 77.21 Favored 'General case' 0 C--N 1.351 0.668 0 C-N-CA 129.32 3.048 . . . . 0.0 113.084 178.4 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.417 ' HA2' ' O ' ' A' ' 79' ' ' CYS . . . -61.77 -30.9 76.29 Favored Glycine 0 C--N 1.375 2.705 0 C-N-CA 128.184 2.802 . . . . 0.0 115.978 160.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -84.02 -45.14 13.41 Favored 'General case' 0 C--N 1.36 1.05 0 C-N-CA 127.046 2.138 . . . . 0.0 115.367 177.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -68.08 -19.41 64.86 Favored 'General case' 0 C--N 1.364 1.209 0 C-N-CA 127.869 2.468 . . . . 0.0 113.823 -178.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.41 25.8 29.7 Favored Glycine 0 C--N 1.359 1.819 0 CA-C-N 115.909 -0.587 . . . . 0.0 114.019 176.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.9 mt -97.34 -37.98 9.82 Favored 'General case' 0 C--N 1.365 1.281 0 CA-C-N 118.745 1.273 . . . . 0.0 110.042 173.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.467 ' HA ' ' HA ' ' A' ' 92' ' ' TYR . 25.8 m -133.84 149.79 51.38 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 121.362 1.892 . . . . 0.0 115.301 178.448 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -106.93 117.17 33.35 Favored 'General case' 0 C--N 1.366 1.305 0 C-N-CA 125.082 1.353 . . . . 0.0 111.64 175.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.598 HG22 HG22 ' A' ' 90' ' ' ILE . 0.6 OUTLIER -99.78 154.09 4.33 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.82 0 N-CA-C 117.727 2.491 . . . . 0.0 117.727 -172.122 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -147.89 150.42 34.06 Favored 'General case' 0 C--N 1.355 0.83 0 CA-C-N 111.659 -2.519 . . . . 0.0 110.336 174.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 70.4 tt0 -117.96 139.05 51.71 Favored 'General case' 0 C--N 1.368 1.386 0 O-C-N 120.21 -1.556 . . . . 0.0 109.754 175.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.419 ' HB ' ' CD ' ' A' ' 85' ' ' PRO . 60.2 p -121.31 175.53 2.39 Favored Pre-proline 0 CA--C 1.499 -0.994 0 C-N-CA 130.323 3.449 . . . . 0.0 111.047 -174.527 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.419 ' CD ' ' HB ' ' A' ' 84' ' ' THR . 23.8 Cg_exo -66.97 -8.39 21.52 Favored 'Trans proline' 0 N--CA 1.443 -1.446 0 N-CA-C 118.308 2.388 . . . . 0.0 118.308 166.315 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -109.41 -6.32 15.5 Favored 'General case' 0 C--N 1.363 1.162 0 CA-C-N 120.325 1.42 . . . . 0.0 112.75 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 143.3 -164.84 27.21 Favored Glycine 0 C--N 1.36 1.876 0 CA-C-O 122.405 1.003 . . . . 0.0 115.311 -177.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.551 ' CZ2' HG23 ' A' ' 67' ' ' THR . 26.4 m95 -95.52 112.08 23.86 Favored 'General case' 0 C--N 1.366 1.304 0 C-N-CA 131.566 3.946 . . . . 0.0 110.896 179.286 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -116.84 138.2 51.68 Favored 'General case' 0 C--N 1.36 1.024 0 C-N-CA 125.421 1.489 . . . . 0.0 107.303 -178.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.598 HG22 HG22 ' A' ' 81' ' ' VAL . 4.8 pt -120.28 136.87 55.95 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.359 0 C-N-CA 128.86 2.864 . . . . 0.0 105.619 -178.107 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . 0.283 15.9 pt20 -121.91 114.33 20.86 Favored 'General case' 0 N--CA 1.436 -1.152 0 N-CA-C 103.285 -2.857 . . . . 0.0 103.285 171.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.467 ' HA ' ' HA ' ' A' ' 79' ' ' CYS 0.492 24.8 t80 -58.92 147.8 32.72 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 129.034 2.934 . . . . 0.0 114.557 -175.593 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.1 mt -90.44 111.69 23.8 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.585 1 C-N-CA 132.022 4.129 . . . . 0.0 104.28 178.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . 0.305 3.7 p-10 -74.99 95.92 3.09 Favored 'General case' 0 C--N 1.367 1.358 0 CA-C-O 122.644 1.212 . . . . 0.0 113.573 -176.583 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . 0.291 3.7 mmp_? -51.06 -91.86 0.0 OUTLIER 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 131.256 3.822 . . . . 0.0 115.62 -178.073 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -102.24 111.27 64.25 Favored Pre-proline 0 N--CA 1.448 -0.556 0 CA-C-O 115.357 -2.258 . . . . 0.0 105.831 163.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -59.63 -26.38 81.92 Favored 'Trans proline' 0 C--N 1.355 0.869 1 C-N-CA 126.529 4.819 . . . . 0.0 115.433 -178.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -67.33 -23.52 65.63 Favored 'General case' 0 C--N 1.361 1.103 0 C-N-CA 127.034 2.133 . . . . 0.0 111.215 169.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -76.22 -44.24 38.5 Favored 'General case' 0 C--N 1.365 1.282 0 O-C-N 119.213 -2.179 . . . . 0.0 110.048 170.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 49.3 mt -66.18 -50.1 71.17 Favored 'Isoleucine or valine' 0 C--N 1.36 1.06 0 C-N-CA 129.339 3.056 . . . . 0.0 111.344 179.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 71.9 mtt85 -70.22 -23.37 62.92 Favored 'General case' 0 C--N 1.361 1.09 0 O-C-N 118.571 -2.581 . . . . 0.0 114.082 174.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -78.97 -37.6 39.08 Favored 'General case' 0 C--N 1.373 1.63 0 C-N-CA 125.183 1.393 . . . . 0.0 111.195 171.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . 0.443 36.8 mt-30 -58.64 -46.83 86.27 Favored 'General case' 0 C--N 1.37 1.462 0 C-N-CA 128.519 2.728 . . . . 0.0 112.935 171.522 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -81.42 -49.63 10.42 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 115.447 1.647 . . . . 0.0 115.447 175.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -82.68 -54.15 5.37 Favored 'General case' 0 C--N 1.363 1.157 0 N-CA-C 117.939 2.57 . . . . 0.0 117.939 -172.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.3 mt -83.39 -52.38 6.58 Favored 'General case' 0 C--N 1.362 1.123 0 C-N-CA 126.618 1.967 . . . . 0.0 115.798 -175.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.547 ' HG2' HH21 ' A' ' 33' ' ' ARG . 31.6 tt0 -59.33 -20.19 52.57 Favored 'General case' 0 C--N 1.372 1.577 0 C-N-CA 128.543 2.737 . . . . 0.0 114.75 -176.349 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 2.6 mtmp? -91.5 -5.16 54.63 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 113.547 -1.661 . . . . 0.0 115.32 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -91.02 41.5 1.07 Allowed 'General case' 0 C--N 1.354 0.796 0 C-N-CA 128.329 2.652 . . . . 0.0 113.304 179.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 75.7 tttt -78.63 58.76 2.32 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 127.12 2.168 . . . . 0.0 113.4 -178.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm . . . . . 0 C--N 1.361 1.073 0 C-N-CA 129.465 3.106 . . . . 0.0 114.3 -179.988 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.495 -1.182 0 N-CA-C 109.699 -1.36 . . . . 0.0 109.699 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.49 162.26 32.75 Favored 'General case' 0 CA--C 1.5 -0.956 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 178.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 56.93 -52.65 0.03 OUTLIER 'General case' 0 C--N 1.362 1.134 0 C-N-CA 130.036 3.335 . . . . 0.0 118.312 174.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -95.08 -32.16 13.24 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 127.762 2.425 . . . . 0.0 109.406 172.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . 0.302 0.5 OUTLIER 42.2 44.93 3.41 Favored 'General case' 0 C--N 1.38 1.926 0 C-N-CA 130.656 3.583 . . . . 0.0 115.449 -177.009 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.51 -40.24 64.19 Favored 'General case' 0 C--N 1.359 0.996 0 C-N-CA 129.447 3.099 . . . . 0.0 116.335 -168.206 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 78.7 4.39 2.51 Favored 'General case' 0 C--N 1.366 1.325 0 C-N-CA 128.953 2.901 . . . . 0.0 112.254 -177.182 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 79.24 17.38 0.87 Allowed 'General case' 0 C--N 1.363 1.161 0 C-N-CA 128.334 2.654 . . . . 0.0 111.822 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.3 m -60.43 52.62 0.01 OUTLIER 'General case' 0 C--N 1.361 1.104 1 C-N-CA 132.357 4.263 . . . . 0.0 120.294 -172.198 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -147.4 148.95 31.84 Favored 'General case' 0 C--N 1.359 1.016 0 C-N-CA 125.526 1.53 . . . . 0.0 110.37 172.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -141.85 109.89 6.07 Favored Pre-proline 0 C--N 1.351 0.636 1 N-CA-C 99.597 -4.223 . . . . 0.0 99.597 171.24 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -85.82 68.8 5.15 Favored 'Trans proline' 0 C--N 1.345 0.346 0 CA-C-N 124.604 2.68 . . . . 0.0 116.362 -165.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.412 HE21 ' HA ' ' A' ' 62' ' ' GLN . 12.8 mp0 -108.53 -49.72 3.13 Favored 'General case' 0 C--N 1.354 0.803 0 C-N-CA 126.763 2.025 . . . . 0.0 111.544 178.572 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 18.4 mp0 -69.13 -19.74 64.04 Favored 'General case' 0 C--N 1.362 1.11 0 C-N-CA 130.63 3.572 . . . . 0.0 111.632 176.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -94.85 15.4 18.64 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 127.767 2.427 . . . . 0.0 111.467 176.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -74.36 -24.09 59.11 Favored 'General case' 0 C--N 1.381 1.969 0 O-C-N 120.643 -1.286 . . . . 0.0 111.412 170.626 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -73.87 -41.99 61.41 Favored 'General case' 0 C--N 1.365 1.255 0 O-C-N 119.823 -1.798 . . . . 0.0 112.218 171.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -71.4 -53.86 12.63 Favored 'General case' 0 C--N 1.363 1.185 0 N-CA-C 115.745 1.758 . . . . 0.0 115.745 171.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.253 23.6 m-85 -74.59 -43.75 54.06 Favored 'General case' 0 C--N 1.371 1.532 0 O-C-N 120.014 -1.679 . . . . 0.0 115.362 -178.481 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . 0.396 3.9 t -69.08 -29.33 67.41 Favored 'General case' 0 C--N 1.371 1.507 0 N-CA-C 115.714 1.746 . . . . 0.0 115.714 176.322 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -69.82 -38.17 76.47 Favored 'General case' 0 C--N 1.37 1.477 0 C-N-CA 125.526 1.531 . . . . 0.0 111.306 173.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -74.86 -49.56 20.05 Favored 'General case' 0 C--N 1.366 1.304 0 C-N-CA 125.046 1.338 . . . . 0.0 113.244 170.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.419 ' CE1' ' CE2' ' A' ' 46' ' ' TYR 0.264 44.0 t80 -63.13 -48.27 79.22 Favored 'General case' 0 C--N 1.367 1.369 0 C-N-CA 126.362 1.865 . . . . 0.0 113.458 179.138 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.627 ' NE ' HD12 ' A' ' 73' ' ' LEU 0.303 1.0 OUTLIER -69.21 -29.21 67.12 Favored 'General case' 0 C--N 1.371 1.505 0 CA-C-N 123.402 2.819 . . . . 0.0 113.743 174.031 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -68.06 -51.38 47.32 Favored 'General case' 0 C--N 1.368 1.406 0 CA-C-N 121.451 1.932 . . . . 0.0 114.363 170.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.427 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 65.0 m-20 -70.51 -38.44 74.29 Favored 'General case' 0 C--N 1.356 0.873 0 N-CA-C 114.615 1.339 . . . . 0.0 114.615 178.159 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -67.56 -47.9 68.51 Favored 'General case' 0 C--N 1.37 1.49 0 C-N-CA 128.29 2.636 . . . . 0.0 111.408 173.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.469 ' HB2' ' O ' ' A' ' 24' ' ' ARG 0.301 15.5 mt -66.51 -34.78 78.68 Favored 'General case' 0 C--N 1.38 1.926 0 CA-C-O 117.092 -1.433 . . . . 0.0 113.016 173.17 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -58.98 -53.98 52.31 Favored 'General case' 0 C--N 1.375 1.68 0 CA-C-N 121.572 1.987 . . . . 0.0 113.37 168.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.427 ' HB2' ' O ' ' A' ' 26' ' ' ASP . 2.7 tp -57.03 -37.93 72.44 Favored 'General case' 0 C--N 1.359 1.001 0 C-N-CA 128.013 2.525 . . . . 0.0 114.602 176.142 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.7 tt -67.7 -54.23 21.14 Favored 'General case' 0 C--N 1.37 1.493 0 C-N-CA 131.24 3.816 . . . . 0.0 111.32 175.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 34.0 mtp180 -66.13 -45.73 80.0 Favored 'General case' 0 C--N 1.357 0.919 0 C-N-CA 128.215 2.606 . . . . 0.0 116.45 177.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.533 ' HA ' ' HB3' ' A' ' 103' ' ' GLN 0.289 5.0 ptt180 -72.08 -51.21 22.61 Favored 'General case' 0 CA--C 1.472 -2.053 0 N-CA-C 117.248 2.314 . . . . 0.0 117.248 170.092 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -82.56 -32.93 28.28 Favored 'General case' 0 N--CA 1.438 -1.044 0 C-N-CA 118.268 -1.373 . . . . 0.0 114.178 -167.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -111.33 -40.56 4.37 Favored 'General case' 0 C--N 1.358 0.956 0 C-N-CA 125.693 1.597 . . . . 0.0 111.595 -174.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.408 ' HA2' HG23 ' A' ' 100' ' ' ILE . . . 78.31 -107.92 2.55 Favored Glycine 0 C--N 1.377 2.859 0 C-N-CA 127.861 2.648 . . . . 0.0 111.141 -168.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.8 p -124.56 108.29 11.93 Favored 'General case' 0 N--CA 1.442 -0.866 0 N-CA-C 104.053 -2.573 . . . . 0.0 104.053 171.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -147.8 150.3 33.96 Favored 'General case' 0 CA--C 1.509 -0.603 0 C-N-CA 125.48 1.512 . . . . 0.0 108.718 176.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.96 107.4 7.01 Favored 'General case' 0 C--N 1.366 1.319 0 CA-C-O 123.38 1.562 . . . . 0.0 110.25 172.13 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.4 p -147.95 144.85 19.05 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.896 0 N-CA-C 106.228 -1.767 . . . . 0.0 106.228 -172.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 65.3 t-80 -75.07 131.93 40.92 Favored 'General case' 0 C--N 1.357 0.933 0 C-N-CA 127.065 2.146 . . . . 0.0 111.627 -178.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.582 ' HB2' HD11 ' A' ' 66' ' ' LEU . 4.2 m120 -53.64 -39.69 65.22 Favored 'General case' 0 C--N 1.377 1.8 0 N-CA-C 115.539 1.681 . . . . 0.0 115.539 -176.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.261 36.0 m120 -58.06 -26.9 63.1 Favored 'General case' 0 C--N 1.365 1.26 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 172.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.452 ' HA ' ' ND2' ' A' ' 47' ' ' ASN . 6.9 mt -76.39 -42.49 36.24 Favored 'Isoleucine or valine' 0 C--N 1.369 1.43 0 C-N-CA 127.029 2.132 . . . . 0.0 112.019 172.369 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.1 m -73.32 -31.53 34.18 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.245 0 O-C-N 121.097 -1.002 . . . . 0.0 110.822 173.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.419 ' CE2' ' CE1' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -66.24 -53.22 39.65 Favored 'General case' 0 C--N 1.388 2.265 0 C-N-CA 128.261 2.624 . . . . 0.0 110.571 172.659 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.452 ' ND2' ' HA ' ' A' ' 44' ' ' ILE . 15.2 p30 -63.72 -28.31 69.8 Favored 'General case' 0 C--N 1.386 2.19 0 C-N-CA 125.188 1.395 . . . . 0.0 113.534 177.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.62 -41.53 45.64 Favored 'General case' 0 C--N 1.368 1.404 0 CA-C-N 114.641 -1.163 . . . . 0.0 110.799 179.264 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.54 ' CE1' HG23 ' A' ' 50' ' ' ILE . 1.5 t80 -64.11 -52.44 59.17 Favored 'General case' 0 C--N 1.367 1.341 0 C-N-CA 129.971 3.308 . . . . 0.0 112.023 172.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.54 HG23 ' CE1' ' A' ' 49' ' ' TYR . 2.9 pt -77.55 -17.55 14.21 Favored 'Isoleucine or valine' 0 C--N 1.357 0.909 0 N-CA-C 118.436 2.754 . . . . 0.0 118.436 -177.191 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.0 t -78.89 55.99 1.84 Allowed 'General case' 0 CA--C 1.564 1.516 0 O-C-N 120.28 -1.513 . . . . 0.0 110.318 171.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 49.5 m-70 -154.59 -170.01 3.39 Favored 'General case' 0 CA--C 1.545 0.787 2 C-N-CA 133.976 4.91 . . . . 0.0 99.656 -174.579 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.7 -40.38 96.96 Favored 'General case' 0 C--N 1.367 1.342 0 O-C-N 118.313 -2.742 . . . . 0.0 117.733 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -61.4 12.76 0.01 OUTLIER 'General case' 0 N--CA 1.444 -0.755 2 C-N-CA 136.167 5.787 . . . . 0.0 122.305 -170.261 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.447 ' HD2' ' HB ' ' A' ' 50' ' ' ILE 0.326 4.9 t-160 -35.95 56.21 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.893 1 N-CA-C 124.577 5.028 . . . . 0.0 124.577 -175.606 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.513 HG23 ' HB3' ' A' ' 60' ' ' ALA . 96.7 mt -91.34 104.39 15.44 Favored 'Isoleucine or valine' 0 C--N 1.355 0.84 0 C-N-CA 131.672 3.989 . . . . 0.0 106.798 172.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -91.73 -176.54 4.5 Favored 'General case' 0 CA--C 1.518 -0.272 0 O-C-N 120.368 -1.458 . . . . 0.0 109.795 -179.187 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.5 ' CE ' HD12 ' A' ' 66' ' ' LEU . 12.3 tpp -62.38 -10.15 10.45 Favored 'General case' 0 C--N 1.378 1.838 0 O-C-N 118.695 -2.503 . . . . 0.0 114.122 174.305 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -86.04 -1.94 57.84 Favored 'General case' 0 N--CA 1.424 -1.755 1 C-N-CA 133.438 4.695 . . . . 0.0 112.794 178.124 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.513 ' HB3' HG23 ' A' ' 56' ' ' ILE . . . -117.4 20.3 13.66 Favored 'General case' 0 C--N 1.368 1.398 0 C-N-CA 126.66 1.984 . . . . 0.0 113.19 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . 0.29 4.7 t -148.41 172.26 14.72 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.846 1.258 . . . . 0.0 110.295 -177.159 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.412 ' HA ' HE21 ' A' ' 13' ' ' GLN . 8.2 pt20 -80.73 -1.27 42.02 Favored 'General case' 0 C--N 1.374 1.65 0 N-CA-C 117.153 2.279 . . . . 0.0 117.153 -173.334 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 1.5 m-90 -99.45 108.82 21.38 Favored 'General case' 0 C--N 1.353 0.733 0 C-N-CA 127.421 2.288 . . . . 0.0 106.127 176.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -79.03 -37.68 38.48 Favored 'General case' 0 C--N 1.36 1.038 0 CA-C-O 122.991 1.376 . . . . 0.0 112.367 -177.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 78.4 p -103.24 167.63 9.7 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 125.624 1.57 . . . . 0.0 107.288 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.582 HD11 ' HB2' ' A' ' 42' ' ' ASN . 9.9 tp -71.44 -34.63 70.43 Favored 'General case' 0 C--N 1.364 1.232 0 O-C-N 120.177 -1.577 . . . . 0.0 112.588 176.414 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.452 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 26.1 m -57.31 -38.76 74.52 Favored 'General case' 0 C--N 1.359 0.985 0 C-N-CA 131.526 3.93 . . . . 0.0 111.894 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -72.09 -30.49 65.15 Favored 'General case' 0 C--N 1.363 1.155 0 N-CA-C 115.658 1.725 . . . . 0.0 115.658 174.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.564 ' CZ ' HD13 ' A' ' 73' ' ' LEU . 7.3 t80 -73.19 -35.11 66.32 Favored 'General case' 0 C--N 1.373 1.609 0 C-N-CA 124.799 1.24 . . . . 0.0 110.019 172.339 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . 0.361 0.7 OUTLIER -71.78 -34.35 69.35 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 125.978 1.711 . . . . 0.0 112.885 177.149 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' A' ' 67' ' ' THR . 0.0 OUTLIER -62.15 -45.19 94.52 Favored 'General case' 0 C--N 1.374 1.668 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 167.184 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 79.8 t90 -76.14 -48.54 20.22 Favored 'General case' 0 C--N 1.366 1.308 0 C-N-CA 125.384 1.473 . . . . 0.0 112.461 -177.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.627 HD12 ' NE ' ' A' ' 24' ' ' ARG 0.598 0.2 OUTLIER -65.67 -34.08 77.39 Favored 'General case' 0 C--N 1.354 0.785 0 C-N-CA 128.678 2.791 . . . . 0.0 116.652 177.754 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -59.47 -28.05 64.32 Favored Glycine 0 C--N 1.342 0.881 0 C-N-CA 129.041 3.21 . . . . 0.0 117.207 163.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -82.26 -39.9 22.33 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 126.831 2.053 . . . . 0.0 116.361 -176.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -76.16 -17.88 59.36 Favored 'General case' 0 C--N 1.356 0.881 0 C-N-CA 126.173 1.789 . . . . 0.0 114.905 -172.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.58 23.71 45.78 Favored Glycine 0 C--N 1.354 1.582 0 C-N-CA 120.305 -0.95 . . . . 0.0 115.129 179.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.551 ' HB2' ' NH2' ' A' ' 24' ' ' ARG . 0.5 OUTLIER -102.28 -33.15 9.71 Favored 'General case' 0 C--O 1.211 -0.929 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 171.519 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 92' ' ' TYR . 5.0 m -136.72 138.34 40.89 Favored 'General case' 0 C--N 1.36 1.047 0 CA-C-N 122.46 2.391 . . . . 0.0 115.909 178.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -107.18 123.39 48.2 Favored 'General case' 0 C--N 1.37 1.475 0 CA-C-N 120.313 1.415 . . . . 0.0 111.998 178.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.568 HG22 HG22 ' A' ' 90' ' ' ILE . 0.2 OUTLIER -99.58 156.84 3.91 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.123 0 O-C-N 118.82 -2.425 . . . . 0.0 116.955 -170.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -145.71 149.37 34.31 Favored 'General case' 0 C--N 1.358 0.948 0 CA-C-N 111.953 -2.385 . . . . 0.0 109.395 177.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -121.07 139.51 53.22 Favored 'General case' 0 C--N 1.365 1.263 0 O-C-N 120.224 -1.548 . . . . 0.0 110.313 177.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.441 ' HB ' ' CD ' ' A' ' 85' ' ' PRO . 33.3 p -120.33 176.22 1.93 Allowed Pre-proline 0 CA--C 1.497 -1.069 0 C-N-CA 129.903 3.281 . . . . 0.0 109.511 -178.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.441 ' CD ' ' HB ' ' A' ' 84' ' ' THR . 19.6 Cg_exo -69.16 -3.69 12.11 Favored 'Trans proline' 0 N--CA 1.44 -1.629 0 N-CA-C 118.297 2.383 . . . . 0.0 118.297 166.041 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -111.89 -6.33 14.26 Favored 'General case' 0 C--N 1.364 1.214 0 CA-C-N 120.634 1.561 . . . . 0.0 112.684 -177.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 152.27 -162.97 30.07 Favored Glycine 0 C--N 1.362 2.003 0 O-C-N 120.716 -1.24 . . . . 0.0 114.98 -176.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 19.0 m95 -109.4 115.26 29.62 Favored 'General case' 0 C--N 1.359 1.016 0 C-N-CA 127.311 2.244 . . . . 0.0 109.525 177.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -107.93 143.2 36.9 Favored 'General case' 0 C--N 1.362 1.113 0 C-N-CA 128.282 2.633 . . . . 0.0 107.491 -177.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.568 HG22 HG22 ' A' ' 81' ' ' VAL . 8.6 pt -125.93 137.41 57.8 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.057 0 N-CA-C 105.973 -1.862 . . . . 0.0 105.973 -179.598 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . 0.288 16.4 pt20 -119.7 111.39 17.97 Favored 'General case' 0 N--CA 1.427 -1.585 0 N-CA-C 103.679 -2.712 . . . . 0.0 103.679 171.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.409 ' HA ' ' HA ' ' A' ' 79' ' ' CYS 0.503 19.7 t80 -59.43 147.99 34.42 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 127.993 2.517 . . . . 0.0 114.829 -175.812 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.9 mt -90.92 115.38 30.01 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.059 0 C-N-CA 130.666 3.586 . . . . 0.0 102.5 177.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . 0.266 1.2 p30 -63.48 -9.36 12.45 Favored 'General case' 0 C--N 1.355 0.824 0 N-CA-C 121.48 3.882 . . . . 0.0 121.48 -169.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . 0.312 28.6 mmm180 65.48 -101.01 0.07 Allowed 'General case' 0 C--N 1.347 0.484 0 C-N-CA 129.328 3.051 . . . . 0.0 110.752 177.519 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -103.34 107.5 55.95 Favored Pre-proline 0 CA--C 1.519 -0.238 0 CA-C-O 113.709 -3.043 . . . . 0.0 105.941 159.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.83 -15.11 30.54 Favored 'Trans proline' 0 C--N 1.357 1.011 1 CA-C-N 128.493 4.069 . . . . 0.0 118.043 -176.223 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -66.5 -25.78 66.85 Favored 'General case' 0 C--N 1.367 1.347 0 CA-C-N 120.362 1.437 . . . . 0.0 109.815 167.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -60.99 -36.4 79.35 Favored 'General case' 0 C--N 1.372 1.583 0 O-C-N 119.639 -1.913 . . . . 0.0 113.217 171.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.408 HG23 ' HA2' ' A' ' 36' ' ' GLY . 5.7 mm -73.9 -50.5 28.6 Favored 'Isoleucine or valine' 0 C--N 1.366 1.295 0 C-N-CA 130.824 3.65 . . . . 0.0 110.755 177.361 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -70.23 -40.28 74.57 Favored 'General case' 0 C--N 1.36 1.051 0 C-N-CA 126.816 2.047 . . . . 0.0 110.89 -177.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 -69.62 -25.77 64.11 Favored 'General case' 0 C--N 1.371 1.519 0 O-C-N 120.524 -1.36 . . . . 0.0 111.36 169.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.533 ' HB3' ' HA ' ' A' ' 33' ' ' ARG 0.418 22.9 mt-30 -72.99 -43.24 62.41 Favored 'General case' 0 C--N 1.367 1.344 0 N-CA-C 116.692 2.108 . . . . 0.0 116.692 172.079 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.21 -40.91 23.12 Favored 'General case' 0 C--N 1.351 0.662 0 O-C-N 119.928 -1.732 . . . . 0.0 112.671 178.123 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 78.1 mt-10 -82.49 -55.75 4.29 Favored 'General case' 0 C--N 1.364 1.196 0 N-CA-C 117.021 2.23 . . . . 0.0 117.021 -175.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 9.1 mt -83.09 -46.84 12.31 Favored 'General case' 0 C--N 1.364 1.237 0 N-CA-C 116.073 1.879 . . . . 0.0 116.073 -174.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -66.4 -8.33 25.06 Favored 'General case' 0 C--N 1.366 1.322 0 C-N-CA 128.751 2.82 . . . . 0.0 114.297 -178.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -105.87 -2.96 22.43 Favored 'General case' 0 C--N 1.347 0.493 0 C-N-CA 126.51 1.924 . . . . 0.0 114.625 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -66.3 88.03 0.12 Allowed 'General case' 0 C--N 1.357 0.898 0 C-N-CA 127.952 2.501 . . . . 0.0 115.699 -178.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . 0.276 67.6 mttm 88.97 27.12 0.03 OUTLIER 'General case' 0 C--N 1.363 1.175 0 C-N-CA 129.79 3.236 . . . . 0.0 111.777 -177.683 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 73.9 tttt . . . . . 0 C--N 1.362 1.14 0 C-N-CA 124.984 1.313 . . . . 0.0 111.725 179.777 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.492 -1.369 0 N-CA-C 108.351 -1.9 . . . . 0.0 108.351 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -79.55 -97.45 0.03 OUTLIER 'General case' 0 C--N 1.357 0.893 0 C-N-CA 128.53 2.732 . . . . 0.0 113.22 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.8 mpp_? -87.27 62.17 7.09 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 127.924 2.49 . . . . 0.0 111.613 -177.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 -90.14 -15.74 30.96 Favored 'General case' 0 C--N 1.358 0.968 0 C-N-CA 128.355 2.662 . . . . 0.0 113.885 -179.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 mm? 70.15 -54.22 0.62 Allowed 'General case' 0 C--N 1.365 1.248 0 C-N-CA 128.795 2.838 . . . . 0.0 114.686 178.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . 0.256 6.1 tp 69.82 -60.98 0.46 Allowed 'General case' 0 C--N 1.357 0.924 0 C-N-CA 128.797 2.839 . . . . 0.0 118.56 173.193 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.289 54.2 mt 74.92 -26.01 0.2 Allowed 'General case' 0 C--N 1.359 1.018 0 C-N-CA 130.214 3.405 . . . . 0.0 116.649 -178.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 79.62 26.77 0.37 Allowed 'General case' 0 C--N 1.357 0.902 0 C-N-CA 126.936 2.095 . . . . 0.0 114.087 172.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.3 m -65.33 52.08 0.03 OUTLIER 'General case' 0 C--N 1.361 1.08 0 N-CA-C 119.718 3.229 . . . . 0.0 119.718 -173.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -89.5 -20.83 23.37 Favored 'General case' 0 C--N 1.357 0.93 0 C-N-CA 126.826 2.05 . . . . 0.0 111.54 175.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 45.3 m-20 81.89 65.78 0.12 Allowed Pre-proline 0 C--N 1.362 1.117 0 C-N-CA 130.695 3.598 . . . . 0.0 111.419 179.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.67 -24.42 21.78 Favored 'Trans proline' 0 C--N 1.371 1.737 1 C-N-CA 125.388 4.059 . . . . 0.0 115.818 -167.471 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -81.64 -7.75 59.63 Favored 'General case' 0 C--N 1.369 1.438 0 C-N-CA 127.799 2.439 . . . . 0.0 112.413 176.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -103.95 -54.8 2.49 Favored 'General case' 0 C--N 1.36 1.064 0 C-N-CA 128.374 2.669 . . . . 0.0 106.193 174.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -84.82 36.43 0.61 Allowed 'General case' 0 C--N 1.352 0.707 0 C-N-CA 126.66 1.984 . . . . 0.0 114.007 177.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 7.2 tpt -55.42 -41.73 73.17 Favored 'General case' 0 C--N 1.381 1.958 0 C-N-CA 130.25 3.42 . . . . 0.0 109.327 171.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -52.04 -44.78 64.38 Favored 'General case' 0 C--N 1.363 1.16 0 C-N-CA 128.585 2.754 . . . . 0.0 115.226 176.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -69.79 -51.97 29.25 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 125.167 1.387 . . . . 0.0 113.913 174.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -70.93 -37.12 72.89 Favored 'General case' 0 C--N 1.366 1.307 0 C-N-CA 125.232 1.413 . . . . 0.0 113.378 -178.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . 0.307 88.3 p -72.57 -31.71 65.46 Favored 'General case' 0 C--N 1.369 1.423 0 C-N-CA 124.841 1.256 . . . . 0.0 112.933 172.041 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -70.92 -48.71 52.11 Favored 'General case' 0 C--N 1.369 1.423 0 CA-C-N 121.01 1.732 . . . . 0.0 113.482 168.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -63.47 -41.54 98.59 Favored 'General case' 0 C--N 1.379 1.888 0 C-N-CA 125.801 1.64 . . . . 0.0 113.676 178.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.401 ' CZ ' ' CE1' ' A' ' 46' ' ' TYR . 21.3 t80 -73.39 -52.72 12.79 Favored 'General case' 0 C--N 1.358 0.953 0 C-N-CA 124.45 1.1 . . . . 0.0 113.005 169.159 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.508 HH11 HD12 ' A' ' 28' ' ' LEU . 16.5 ttp85 -66.97 -43.93 81.81 Favored 'General case' 0 C--N 1.363 1.196 0 CA-C-N 123.26 2.754 . . . . 0.0 116.076 -177.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -60.02 -49.92 75.75 Favored 'General case' 0 C--N 1.371 1.507 0 CA-C-N 122.458 2.39 . . . . 0.0 114.798 176.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -76.5 -34.07 58.62 Favored 'General case' 0 C--N 1.362 1.12 0 C-N-CA 127.476 2.31 . . . . 0.0 115.382 176.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -71.81 -42.49 66.96 Favored 'General case' 0 C--N 1.366 1.321 0 C-N-CA 125.406 1.483 . . . . 0.0 111.006 173.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.508 HD12 HH11 ' A' ' 24' ' ' ARG . 9.3 mt -67.08 -38.79 86.36 Favored 'General case' 0 C--N 1.379 1.871 0 C-N-CA 126.418 1.887 . . . . 0.0 111.726 178.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.09 -51.62 65.81 Favored 'General case' 0 C--N 1.359 0.994 0 C-N-CA 129.393 3.077 . . . . 0.0 113.004 172.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -76.2 -34.42 59.28 Favored 'General case' 0 C--N 1.363 1.194 0 C-N-CA 128.161 2.584 . . . . 0.0 114.538 178.094 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 tt -60.08 -50.74 72.51 Favored 'General case' 0 C--N 1.368 1.37 0 C-N-CA 131.091 3.756 . . . . 0.0 109.657 173.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.0 mtp180 -61.0 -44.03 98.01 Favored 'General case' 0 C--N 1.366 1.324 0 C-N-CA 128.311 2.645 . . . . 0.0 115.462 170.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.404 ' HA ' ' HB3' ' A' ' 103' ' ' GLN 0.38 1.7 ptp85 -73.29 -53.73 10.12 Favored 'General case' 0 C--N 1.38 1.924 0 N-CA-C 118.644 2.831 . . . . 0.0 118.644 170.001 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 24.6 mmt85 -82.48 -31.01 29.55 Favored 'General case' 0 C--N 1.353 0.728 0 N-CA-C 113.977 1.103 . . . . 0.0 113.977 -165.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -111.71 -35.34 5.78 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.494 1.518 . . . . 0.0 110.378 -177.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.44 -100.2 1.78 Allowed Glycine 0 C--N 1.387 3.371 0 C-N-CA 127.783 2.611 . . . . 0.0 109.327 -173.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.435 HG22 ' CD1' ' A' ' 92' ' ' TYR . 23.6 p -134.26 108.02 8.0 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 100.574 -3.862 . . . . 0.0 100.574 166.368 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.8 ttmt -150.0 142.58 24.49 Favored 'General case' 0 CA--C 1.501 -0.941 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.33 109.68 4.85 Favored 'General case' 0 C--N 1.354 0.783 0 C-N-CA 126.941 2.096 . . . . 0.0 112.452 173.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.4 p -150.56 155.18 7.75 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.083 0 N-CA-C 104.686 -2.339 . . . . 0.0 104.686 -173.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -86.54 132.73 33.84 Favored 'General case' 0 C--N 1.369 1.421 0 CA-C-O 125.488 2.566 . . . . 0.0 108.913 177.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.4 ' CG ' HD21 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -53.88 -30.9 47.83 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 128.144 2.578 . . . . 0.0 116.59 -178.539 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.01 -27.59 66.69 Favored 'General case' 0 C--N 1.358 0.937 0 C-N-CA 126.111 1.765 . . . . 0.0 110.812 176.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.8 mt -74.57 -44.51 47.05 Favored 'Isoleucine or valine' 0 C--N 1.369 1.442 0 O-C-N 120.226 -1.546 . . . . 0.0 110.734 169.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . 0.252 1.9 m -70.44 -36.05 64.75 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.325 0 C-N-CA 126.22 1.808 . . . . 0.0 113.987 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.401 ' CE1' ' CZ ' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -62.56 -50.92 69.4 Favored 'General case' 0 C--N 1.384 2.084 0 C-N-CA 129.111 2.964 . . . . 0.0 111.199 173.504 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -63.51 -27.17 69.08 Favored 'General case' 0 C--N 1.358 0.963 0 C-N-CA 129.507 3.123 . . . . 0.0 112.619 175.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -78.25 -38.08 43.67 Favored 'General case' 0 C--N 1.361 1.072 0 C-N-CA 124.524 1.13 . . . . 0.0 112.574 172.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.436 ' CE1' HG23 ' A' ' 50' ' ' ILE . 0.6 OUTLIER -65.58 -45.84 81.71 Favored 'General case' 0 C--N 1.359 1.006 0 C-N-CA 129.954 3.302 . . . . 0.0 113.927 175.336 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.537 HG22 ' HA ' ' A' ' 55' ' ' HIS . 2.6 pt -77.14 -20.6 14.36 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.751 0 N-CA-C 120.198 3.407 . . . . 0.0 120.198 -175.206 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.2 t -74.01 50.24 0.36 Allowed 'General case' 0 CA--C 1.565 1.547 0 O-C-N 119.75 -1.844 . . . . 0.0 112.977 176.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 -150.95 -162.74 1.61 Allowed 'General case' 0 N--CA 1.442 -0.841 1 C-N-CA 133.47 4.708 . . . . 0.0 104.159 -169.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.72 -37.47 76.53 Favored 'General case' 0 C--N 1.369 1.431 0 N-CA-C 116.116 1.895 . . . . 0.0 116.116 176.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -69.19 11.47 0.22 Allowed 'General case' 0 CA--C 1.502 -0.88 1 C-N-CA 133.614 4.766 . . . . 0.0 120.208 -168.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.537 ' HA ' HG22 ' A' ' 50' ' ' ILE 0.323 31.7 t-80 -43.11 92.9 0.01 OUTLIER 'General case' 0 C--N 1.361 1.07 0 N-CA-C 119.253 3.057 . . . . 0.0 119.253 -178.67 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.451 ' O ' HG21 ' A' ' 50' ' ' ILE . 76.7 mt -124.63 152.54 30.79 Favored 'Isoleucine or valine' 0 C--N 1.354 0.783 1 C-N-CA 131.913 4.085 . . . . 0.0 106.242 179.586 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.502 ' CG ' HD22 ' A' ' 59' ' ' ASN . 3.7 t-160 -114.82 149.47 37.0 Favored 'General case' 0 C--N 1.347 0.469 0 N-CA-C 103.746 -2.687 . . . . 0.0 103.746 168.157 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -51.76 -22.28 3.45 Favored 'General case' 0 C--N 1.378 1.819 0 N-CA-C 118.245 2.683 . . . . 0.0 118.245 -176.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.502 HD22 ' CG ' ' A' ' 57' ' ' HIS . 21.8 m-80 -69.6 -22.1 63.53 Favored 'General case' 0 N--CA 1.428 -1.557 1 C-N-CA 132.737 4.415 . . . . 0.0 111.118 -178.344 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -80.18 30.94 0.27 Allowed 'General case' 0 C--N 1.384 2.108 0 C-N-CA 127.655 2.382 . . . . 0.0 116.391 173.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.45 HG21 ' CZ3' ' A' ' 63' ' ' TRP . 30.8 p -129.26 -154.23 0.62 Allowed 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 126.483 1.913 . . . . 0.0 111.893 -171.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -116.68 10.01 14.22 Favored 'General case' 0 C--N 1.373 1.59 0 CA-C-O 124.06 1.886 . . . . 0.0 109.769 171.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.45 ' CZ3' HG21 ' A' ' 61' ' ' THR . 3.0 m0 -98.4 106.18 18.42 Favored 'General case' 0 N--CA 1.435 -1.221 0 C-N-CA 128.323 2.649 . . . . 0.0 105.656 178.186 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -77.34 -7.26 55.76 Favored 'General case' 0 C--N 1.364 1.236 0 C-N-CA 127.436 2.295 . . . . 0.0 114.921 -175.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.1 t -163.46 161.08 24.03 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 100.233 -3.988 . . . . 0.0 100.233 -178.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.4 HD21 ' CG ' ' A' ' 42' ' ' ASN . 4.3 tp -56.92 -34.16 67.69 Favored 'General case' 0 C--N 1.369 1.415 0 C-N-CA 127.221 2.208 . . . . 0.0 114.199 -176.471 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.67 HG23 ' CZ2' ' A' ' 88' ' ' TRP . 44.5 m -55.86 -41.29 74.13 Favored 'General case' 0 C--N 1.359 1.015 0 C-N-CA 130.567 3.547 . . . . 0.0 112.893 -177.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -71.42 -27.36 63.24 Favored 'General case' 0 C--N 1.354 0.766 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 177.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -70.04 -38.61 75.89 Favored 'General case' 0 C--N 1.372 1.555 0 CA-C-O 123.515 1.626 . . . . 0.0 110.037 170.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.61 ' HB ' HG21 ' A' ' 81' ' ' VAL . 0.7 OUTLIER -70.69 -33.59 71.07 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 126.306 1.842 . . . . 0.0 112.211 178.765 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.415 ' HG2' ' O ' ' A' ' 67' ' ' THR . 0.0 OUTLIER -65.54 -39.21 91.48 Favored 'General case' 0 C--N 1.378 1.813 0 C-N-CA 124.809 1.244 . . . . 0.0 114.198 168.074 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 70.7 t90 -76.02 -55.63 5.42 Favored 'General case' 0 C--N 1.368 1.374 0 C-N-CA 126.151 1.781 . . . . 0.0 112.417 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . 0.421 0.0 OUTLIER -65.32 -35.05 79.8 Favored 'General case' 0 C--N 1.352 0.682 0 C-N-CA 126.743 2.017 . . . . 0.0 114.775 178.562 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -61.24 -30.57 74.3 Favored Glycine 0 C--N 1.371 2.482 0 C-N-CA 126.785 2.136 . . . . 0.0 114.625 163.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -83.25 -31.82 26.77 Favored 'General case' 0 C--N 1.364 1.225 0 C-N-CA 126.389 1.876 . . . . 0.0 114.57 177.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -79.05 -7.07 57.82 Favored 'General case' 0 C--N 1.367 1.339 0 O-C-N 120.667 -1.271 . . . . 0.0 112.82 176.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 84.4 34.04 18.04 Favored Glycine 0 C--N 1.358 1.769 0 C-N-CA 124.485 1.04 . . . . 0.0 113.963 178.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.4 HD23 ' HD3' ' A' ' 95' ' ' ARG . 0.2 OUTLIER -114.47 4.85 15.38 Favored 'General case' 0 C--N 1.365 1.25 0 CA-C-O 123.042 1.401 . . . . 0.0 108.777 176.464 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.499 ' SG ' HG23 ' A' ' 81' ' ' VAL . 26.3 t -154.62 152.53 30.11 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 116.638 2.088 . . . . 0.0 116.638 174.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 63.3 mttt -114.81 110.45 19.72 Favored 'General case' 0 N--CA 1.431 -1.415 1 C-N-CA 131.856 4.062 . . . . 0.0 104.842 168.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.61 HG21 ' HB ' ' A' ' 70' ' ' THR . 0.2 OUTLIER -112.43 146.88 16.63 Favored 'Isoleucine or valine' 0 C--N 1.352 0.716 0 O-C-N 118.73 -2.481 . . . . 0.0 112.976 -172.437 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -143.87 154.44 43.37 Favored 'General case' 0 C--N 1.362 1.14 0 C-N-CA 125.138 1.375 . . . . 0.0 111.723 175.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 77.6 tt0 -124.76 139.84 53.48 Favored 'General case' 0 C--N 1.369 1.445 0 O-C-N 119.828 -1.795 . . . . 0.0 111.51 179.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.449 ' HB ' ' CD ' ' A' ' 85' ' ' PRO . 61.7 p -119.21 176.81 1.55 Allowed Pre-proline 0 C--N 1.357 0.898 0 C-N-CA 130.969 3.708 . . . . 0.0 110.546 -178.3 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.449 ' CD ' ' HB ' ' A' ' 84' ' ' THR . 15.4 Cg_exo -69.95 -8.37 23.44 Favored 'Trans proline' 0 N--CA 1.442 -1.531 0 N-CA-C 118.206 2.349 . . . . 0.0 118.206 166.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.95 -6.1 14.26 Favored 'General case' 0 C--N 1.365 1.266 0 CA-C-N 121.596 1.998 . . . . 0.0 112.64 -178.526 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 156.16 -177.49 33.17 Favored Glycine 0 C--N 1.358 1.773 0 O-C-N 120.23 -1.544 . . . . 0.0 114.642 -177.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.67 ' CZ2' HG23 ' A' ' 67' ' ' THR . 9.2 m95 -93.37 107.39 19.23 Favored 'General case' 0 C--N 1.359 1.006 0 C-N-CA 129.32 3.048 . . . . 0.0 110.322 178.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -102.19 126.17 49.09 Favored 'General case' 0 C--N 1.355 0.813 0 N-CA-C 105.734 -1.95 . . . . 0.0 105.734 -178.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.491 ' HB ' ' SG ' ' A' ' 79' ' ' CYS . 1.0 OUTLIER -115.22 136.01 53.34 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.668 0 N-CA-C 103.525 -2.768 . . . . 0.0 103.525 -174.495 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -128.54 113.92 16.09 Favored 'General case' 0 CA--C 1.486 -1.518 1 N-CA-C 98.051 -4.796 . . . . 0.0 98.051 179.697 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.435 ' CD1' HG22 ' A' ' 37' ' ' THR 0.547 0.0 OUTLIER -72.98 147.99 44.66 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.569 1.148 . . . . 0.0 111.64 -178.038 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -86.71 119.27 34.37 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.071 0 C-N-CA 128.007 2.523 . . . . 0.0 105.833 -177.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . 0.269 4.5 p-10 -76.62 97.92 4.55 Favored 'General case' 0 C--N 1.362 1.139 0 CA-C-N 120.734 1.606 . . . . 0.0 112.282 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.4 ' HD3' HD23 ' A' ' 78' ' ' LEU 0.256 25.1 mmm180 -43.35 -77.17 0.02 OUTLIER 'General case' 0 C--N 1.359 1.005 1 C-N-CA 131.704 4.001 . . . . 0.0 114.263 -178.796 . . . . . . . . 4 3 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -102.97 133.2 20.49 Favored Pre-proline 0 CA--C 1.537 0.459 0 CA-C-O 113.663 -3.065 . . . . 0.0 104.655 153.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -68.98 -18.95 40.47 Favored 'Trans proline' 0 C--N 1.36 1.139 2 CA-C-N 129.706 4.502 . . . . 0.0 112.846 174.352 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -67.33 -28.4 67.95 Favored 'General case' 0 C--N 1.364 1.229 0 C-N-CA 124.7 1.2 . . . . 0.0 110.967 168.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.429 ' O ' ' HB2' ' A' ' 103' ' ' GLN 0.297 0.5 OUTLIER -65.39 -34.57 78.61 Favored 'General case' 0 C--N 1.373 1.625 0 O-C-N 119.637 -1.915 . . . . 0.0 112.992 175.366 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.439 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 1.7 mp -73.28 -51.0 27.61 Favored 'Isoleucine or valine' 0 C--N 1.376 1.726 0 C-N-CA 130.675 3.59 . . . . 0.0 110.466 173.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 43.3 mtp-105 -67.68 -38.58 83.93 Favored 'General case' 0 C--N 1.369 1.445 0 O-C-N 120.01 -1.681 . . . . 0.0 112.656 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 8.4 mmt180 -73.1 -22.7 60.51 Favored 'General case' 0 C--N 1.372 1.578 0 C-N-CA 125.765 1.626 . . . . 0.0 110.251 171.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.429 ' HB2' ' O ' ' A' ' 99' ' ' THR 0.271 0.0 OUTLIER -69.4 -54.95 11.86 Favored 'General case' 0 C--N 1.363 1.172 0 N-CA-C 115.306 1.595 . . . . 0.0 115.306 170.504 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 100' ' ' ILE . 0.1 OUTLIER -76.27 -43.1 43.25 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 125.391 1.476 . . . . 0.0 114.874 -177.353 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -81.74 -38.44 25.7 Favored 'General case' 0 C--N 1.367 1.357 0 N-CA-C 116.391 1.997 . . . . 0.0 116.391 -174.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 8.8 mt -80.46 -23.25 40.34 Favored 'General case' 0 C--N 1.365 1.262 0 O-C-N 120.415 -1.428 . . . . 0.0 114.36 -178.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 56.4 tt0 -60.79 -13.76 17.29 Favored 'General case' 0 C--N 1.365 1.265 0 C-N-CA 130.799 3.639 . . . . 0.0 112.225 175.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -96.77 -11.95 24.31 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 126.847 2.059 . . . . 0.0 113.332 -177.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -112.78 53.87 0.73 Allowed 'General case' 0 C--N 1.354 0.763 0 C-N-CA 127.299 2.24 . . . . 0.0 111.105 -175.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -90.91 2.32 56.3 Favored 'General case' 0 C--N 1.359 0.996 0 C-N-CA 125.353 1.461 . . . . 0.0 114.598 -177.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 59.1 tptt . . . . . 0 C--N 1.352 0.685 0 N-CA-C 106.217 -1.772 . . . . 0.0 106.217 178.131 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.487 -1.659 0 N-CA-C 107.433 -2.267 . . . . 0.0 107.433 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -112.5 -3.3 14.44 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 129.166 2.987 . . . . 0.0 109.332 176.133 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.1 ttt85 -171.97 -165.36 0.35 Allowed 'General case' 0 C--N 1.361 1.107 0 C-N-CA 126.449 1.9 . . . . 0.0 109.027 -172.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 31.3 tp60 64.55 -46.96 0.32 Allowed 'General case' 0 C--N 1.369 1.417 0 C-N-CA 130.864 3.666 . . . . 0.0 118.689 175.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 5' ' ' LEU 0.342 3.7 mm? 87.8 59.92 0.01 OUTLIER 'General case' 0 C--N 1.354 0.763 0 C-N-CA 130.103 3.361 . . . . 0.0 109.79 -178.132 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.8 mt -79.46 151.15 31.0 Favored 'General case' 0 C--N 1.356 0.88 0 C-N-CA 127.652 2.381 . . . . 0.0 114.433 178.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 58.9 mt -108.13 36.01 2.94 Favored 'General case' 0 C--N 1.364 1.208 0 CA-C-O 123.989 1.852 . . . . 0.0 107.069 172.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 77.01 -59.18 0.49 Allowed 'General case' 0 N--CA 1.437 -1.086 0 C-N-CA 131.179 3.792 . . . . 0.0 110.506 -178.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.285 86.5 p 71.59 45.12 0.47 Allowed 'General case' 0 C--N 1.362 1.116 0 C-N-CA 129.331 3.052 . . . . 0.0 112.181 176.065 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -85.48 -28.43 25.0 Favored 'General case' 0 C--N 1.362 1.124 0 N-CA-C 115.693 1.738 . . . . 0.0 115.693 -173.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 65.11 54.36 1.15 Allowed Pre-proline 0 C--N 1.356 0.874 0 C-N-CA 128.128 2.571 . . . . 0.0 117.305 -177.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_endo -75.31 53.82 3.59 Favored 'Trans proline' 0 C--N 1.361 1.232 1 C-N-CA 125.381 4.054 . . . . 0.0 111.935 176.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -69.43 -35.59 75.85 Favored 'General case' 0 C--N 1.37 1.473 0 C-N-CA 129.655 3.182 . . . . 0.0 111.187 179.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -71.26 -8.64 54.98 Favored 'General case' 0 C--N 1.358 0.968 0 C-N-CA 126.958 2.103 . . . . 0.0 113.389 174.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -114.94 19.79 15.56 Favored 'General case' 0 C--N 1.363 1.166 0 C-N-CA 126.543 1.937 . . . . 0.0 108.882 178.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -62.11 -37.24 84.35 Favored 'General case' 0 C--N 1.388 2.278 0 C-N-CA 126.717 2.007 . . . . 0.0 112.621 178.609 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -56.07 -52.48 64.12 Favored 'General case' 0 C--N 1.368 1.371 0 C-N-CA 127.373 2.269 . . . . 0.0 113.251 171.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -70.97 -52.7 18.22 Favored 'General case' 0 C--N 1.366 1.288 0 N-CA-C 116.052 1.871 . . . . 0.0 116.052 172.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.369 63.0 m-85 -73.6 -33.81 64.76 Favored 'General case' 0 C--N 1.374 1.672 0 CA-C-N 120.076 1.307 . . . . 0.0 113.486 -175.185 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.3 t -73.24 -31.27 64.02 Favored 'General case' 0 C--N 1.378 1.836 0 O-C-N 121.028 -1.045 . . . . 0.0 113.431 168.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -70.94 -48.98 50.43 Favored 'General case' 0 C--N 1.372 1.568 0 CA-C-N 121.934 2.152 . . . . 0.0 113.497 171.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -65.87 -41.11 92.03 Favored 'General case' 0 C--N 1.372 1.568 0 C-N-CA 125.379 1.472 . . . . 0.0 113.442 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.434 ' CZ ' ' CE2' ' A' ' 46' ' ' TYR . 11.0 t80 -73.4 -53.94 9.51 Favored 'General case' 0 C--N 1.366 1.308 0 O-C-N 121.118 -0.989 . . . . 0.0 112.754 168.466 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.458 ' HG3' HD13 ' A' ' 28' ' ' LEU 0.3 36.6 ttp85 -70.43 -35.48 73.42 Favored 'General case' 0 C--N 1.368 1.392 0 N-CA-C 119.563 3.172 . . . . 0.0 119.563 -175.423 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -62.95 -51.12 68.11 Favored 'General case' 0 C--N 1.379 1.855 0 CA-C-N 122.238 2.29 . . . . 0.0 113.307 176.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -69.59 -44.24 71.19 Favored 'General case' 0 C--N 1.358 0.947 0 C-N-CA 128.356 2.663 . . . . 0.0 113.704 174.094 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -63.48 -46.59 85.47 Favored 'General case' 0 C--N 1.368 1.408 0 C-N-CA 126.212 1.805 . . . . 0.0 113.122 175.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.639 HD11 HD11 ' A' ' 73' ' ' LEU . 5.8 mp -66.29 -35.84 81.42 Favored 'General case' 0 C--N 1.382 2.005 0 CA-C-N 121.227 1.83 . . . . 0.0 112.588 175.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -59.65 -53.21 60.68 Favored 'General case' 0 C--N 1.363 1.194 0 C-N-CA 126.9 2.08 . . . . 0.0 113.298 172.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.461 HD21 ' HG2' ' A' ' 48' ' ' GLU . 0.4 OUTLIER -64.96 -37.52 87.93 Favored 'General case' 0 C--N 1.358 0.953 0 C-N-CA 129.077 2.951 . . . . 0.0 115.507 178.088 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.496 HD13 HD23 ' A' ' 28' ' ' LEU . 1.8 tt -64.41 -51.26 64.08 Favored 'General case' 0 C--N 1.374 1.642 0 C-N-CA 131.316 3.846 . . . . 0.0 109.507 171.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.4 mtm180 -62.95 -46.73 86.38 Favored 'General case' 0 C--N 1.362 1.14 0 N-CA-C 116.016 1.858 . . . . 0.0 116.016 174.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . 0.322 13.6 ptt180 -72.58 -53.67 11.29 Favored 'General case' 0 CA--C 1.494 -1.207 0 N-CA-C 119.819 3.266 . . . . 0.0 119.819 172.453 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.408 HH21 ' HG2' ' A' ' 48' ' ' GLU . 9.7 mtm180 -83.12 -20.5 34.71 Favored 'General case' 0 C--N 1.357 0.919 0 N-CA-C 114.57 1.322 . . . . 0.0 114.57 -171.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -120.7 -35.64 3.33 Favored 'General case' 0 C--N 1.358 0.97 0 C-N-CA 125.216 1.406 . . . . 0.0 112.996 -176.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 72.67 -117.0 5.93 Favored Glycine 0 C--N 1.396 3.862 0 O-C-N 119.135 -2.228 . . . . 0.0 111.163 -165.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.46 HG22 ' CD2' ' A' ' 92' ' ' TYR . 27.4 p -122.85 108.19 12.73 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 101.731 -3.433 . . . . 0.0 101.731 169.39 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -140.56 143.12 35.17 Favored 'General case' 0 CA--C 1.505 -0.751 0 C-N-CA 124.54 1.136 . . . . 0.0 109.715 178.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.34 108.14 11.46 Favored 'General case' 0 C--N 1.362 1.145 0 CA-C-O 124.615 2.15 . . . . 0.0 110.307 170.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.2 p -143.74 156.46 16.22 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.107 0 C-N-CA 128.115 2.566 . . . . 0.0 104.308 -167.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -83.66 141.38 31.54 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 120.021 -1.675 . . . . 0.0 110.762 178.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -63.43 -28.14 69.77 Favored 'General case' 0 C--N 1.363 1.184 0 N-CA-C 116.79 2.144 . . . . 0.0 116.79 -177.466 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.492 ' O ' ' HB3' ' A' ' 47' ' ' ASN . 4.2 t-20 -63.68 -49.36 73.46 Favored 'General case' 0 C--N 1.373 1.589 0 C-N-CA 126.312 1.845 . . . . 0.0 108.619 170.167 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.258 4.4 mt -54.27 -42.05 55.18 Favored 'Isoleucine or valine' 0 C--N 1.365 1.274 0 CA-C-N 121.587 1.994 . . . . 0.0 116.244 172.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.0 m -71.86 -39.65 67.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 O-C-N 120.589 -1.319 . . . . 0.0 112.044 174.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.434 ' CE2' ' CZ ' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -65.06 -51.31 62.19 Favored 'General case' 0 C--N 1.384 2.07 0 C-N-CA 127.46 2.304 . . . . 0.0 111.427 175.638 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.492 ' HB3' ' O ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -59.22 -30.1 68.0 Favored 'General case' 0 C--N 1.367 1.351 0 C-N-CA 130.378 3.471 . . . . 0.0 113.793 176.402 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.461 ' HG2' HD21 ' A' ' 30' ' ' LEU . 22.5 tt0 -81.3 -45.48 16.15 Favored 'General case' 0 C--N 1.364 1.215 0 C-N-CA 126.003 1.721 . . . . 0.0 111.261 177.388 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.468 ' CD2' HG23 ' A' ' 50' ' ' ILE . 0.2 OUTLIER -57.21 -45.52 83.72 Favored 'General case' 0 C--N 1.37 1.482 0 C-N-CA 129.565 3.146 . . . . 0.0 113.298 176.401 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.527 ' HB ' ' HD2' ' A' ' 55' ' ' HIS . 9.5 pt -80.26 -1.38 4.66 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.614 0 N-CA-C 121.058 3.725 . . . . 0.0 121.058 -176.279 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.9 t -84.41 8.34 16.6 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 119.623 1.101 . . . . 0.0 112.736 175.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 69.3 m-70 -98.84 -155.11 0.49 Allowed 'General case' 0 CA--C 1.553 1.083 1 C-N-CA 132.395 4.278 . . . . 0.0 106.595 174.1 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.69 -40.72 84.37 Favored 'General case' 0 C--N 1.369 1.451 0 O-C-N 118.152 -2.842 . . . . 0.0 116.854 179.667 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -63.61 11.75 0.03 OUTLIER 'General case' 0 CA--C 1.498 -1.048 1 C-N-CA 135.912 5.685 . . . . 0.0 121.224 -169.285 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.527 ' HD2' ' HB ' ' A' ' 50' ' ' ILE 0.304 30.0 t-80 -47.57 102.74 0.03 OUTLIER 'General case' 0 C--N 1.367 1.351 0 C-N-CA 127.378 2.271 . . . . 0.0 117.085 -178.451 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 37.3 mt -134.22 162.46 39.07 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.054 1 C-N-CA 133.919 4.888 . . . . 0.0 100.879 -177.464 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.524 ' HB3' HD22 ' A' ' 59' ' ' ASN . 0.1 OUTLIER -134.68 154.23 51.63 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 102.629 -3.1 . . . . 0.0 102.629 165.923 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.68 -13.76 0.28 Allowed 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 119.878 3.288 . . . . 0.0 119.878 -172.535 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.524 HD22 ' HB3' ' A' ' 57' ' ' HIS . 15.8 m-80 -85.68 -20.26 29.66 Favored 'General case' 0 N--CA 1.417 -2.107 1 C-N-CA 132.574 4.35 . . . . 0.0 109.735 -173.551 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -92.65 46.65 1.25 Allowed 'General case' 0 C--N 1.381 1.972 0 C-N-CA 130.585 3.554 . . . . 0.0 113.567 175.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . 0.297 10.1 t -162.75 -171.74 2.83 Favored 'General case' 0 C--N 1.356 0.881 0 O-C-N 121.657 -0.652 . . . . 0.0 110.538 -174.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -73.97 -26.1 60.29 Favored 'General case' 0 C--N 1.364 1.213 0 C-N-CA 126.694 1.998 . . . . 0.0 116.169 -175.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -92.79 117.33 29.9 Favored 'General case' 0 N--CA 1.438 -1.032 0 C-N-CA 126.119 1.768 . . . . 0.0 109.633 -177.327 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -68.7 -49.18 60.97 Favored 'General case' 0 C--N 1.364 1.232 0 C-N-CA 125.033 1.333 . . . . 0.0 114.047 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 67.7 p -105.36 157.47 17.31 Favored 'General case' 0 C--N 1.35 0.623 0 C-N-CA 126.437 1.895 . . . . 0.0 106.144 -178.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.6 tp -66.7 -28.15 68.21 Favored 'General case' 0 C--N 1.37 1.47 0 O-C-N 119.082 -2.262 . . . . 0.0 112.943 178.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.608 HG23 ' CZ2' ' A' ' 88' ' ' TRP . 33.1 m -58.21 -40.54 81.87 Favored 'General case' 0 C--N 1.36 1.039 1 C-N-CA 133.163 4.585 . . . . 0.0 110.785 176.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -72.76 -29.61 63.46 Favored 'General case' 0 C--N 1.357 0.91 0 N-CA-C 116.903 2.186 . . . . 0.0 116.903 172.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.415 ' CZ ' HD22 ' A' ' 73' ' ' LEU . 49.7 t80 -72.78 -34.88 67.23 Favored 'General case' 0 C--N 1.373 1.589 0 C-N-CA 125.143 1.377 . . . . 0.0 109.757 172.089 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.425 ' HB ' HG21 ' A' ' 81' ' ' VAL 0.293 0.8 OUTLIER -72.0 -37.66 69.79 Favored 'General case' 0 C--N 1.357 0.905 0 C-N-CA 126.437 1.895 . . . . 0.0 110.838 175.043 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.0 mmtt -63.17 -38.62 91.89 Favored 'General case' 0 C--N 1.378 1.817 0 N-CA-C 115.806 1.78 . . . . 0.0 115.806 167.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 86.7 t90 -80.57 -51.29 8.92 Favored 'General case' 0 C--N 1.361 1.099 0 C-N-CA 124.719 1.208 . . . . 0.0 113.537 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.639 HD11 HD11 ' A' ' 28' ' ' LEU . 0.5 OUTLIER -65.54 -35.29 80.42 Favored 'General case' 0 C--N 1.361 1.088 0 C-N-CA 127.542 2.337 . . . . 0.0 115.693 179.141 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -63.61 -27.73 71.42 Favored Glycine 0 C--N 1.364 2.13 0 C-N-CA 127.405 2.431 . . . . 0.0 113.666 167.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -82.17 -18.3 43.24 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 126.55 1.94 . . . . 0.0 115.916 179.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -76.77 -20.93 55.91 Favored 'General case' 0 C--N 1.352 0.691 0 O-C-N 120.719 -1.238 . . . . 0.0 113.26 178.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.66 20.97 41.85 Favored Glycine 0 C--N 1.373 2.637 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 -172.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.599 ' HB3' HD21 ' A' ' 28' ' ' LEU . 1.4 mt -101.06 -42.13 6.5 Favored 'General case' 0 CA--C 1.471 -2.072 0 C-N-CA 125.343 1.457 . . . . 0.0 111.307 175.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 14.3 m -123.53 156.64 35.27 Favored 'General case' 0 C--O 1.225 -0.191 0 N-CA-C 117.141 2.274 . . . . 0.0 117.141 -178.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 45.7 mttt -114.69 142.89 45.89 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 130.75 3.62 . . . . 0.0 106.257 176.139 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.425 HG21 ' HB ' ' A' ' 70' ' ' THR . 0.2 OUTLIER -139.1 141.81 35.32 Favored 'Isoleucine or valine' 0 C--N 1.352 0.694 0 O-C-N 118.956 -2.34 . . . . 0.0 111.748 -171.404 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -141.6 150.64 42.28 Favored 'General case' 0 C--N 1.363 1.164 0 CA-C-N 114.795 -1.093 . . . . 0.0 109.789 174.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -121.36 139.29 53.63 Favored 'General case' 0 C--N 1.366 1.324 0 O-C-N 120.509 -1.369 . . . . 0.0 109.24 177.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.444 ' HB ' ' CD ' ' A' ' 85' ' ' PRO . 36.1 p -119.91 176.81 1.61 Allowed Pre-proline 0 CA--C 1.499 -1.006 0 C-N-CA 129.506 3.122 . . . . 0.0 109.446 -178.008 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.444 ' CD ' ' HB ' ' A' ' 84' ' ' THR . 19.3 Cg_exo -69.72 -1.55 8.62 Favored 'Trans proline' 0 N--CA 1.44 -1.665 0 N-CA-C 117.995 2.267 . . . . 0.0 117.995 165.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -116.55 -6.54 11.67 Favored 'General case' 0 C--N 1.363 1.155 0 CA-C-N 120.97 1.714 . . . . 0.0 113.293 -178.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 157.44 -162.64 32.07 Favored Glycine 0 C--N 1.362 2.015 0 O-C-N 120.187 -1.571 . . . . 0.0 114.795 -178.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.608 ' CZ2' HG23 ' A' ' 67' ' ' THR . 10.3 m95 -110.34 117.4 33.52 Favored 'General case' 0 C--N 1.363 1.16 0 C-N-CA 127.232 2.213 . . . . 0.0 107.406 178.116 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -112.39 125.65 54.43 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 126.639 1.976 . . . . 0.0 106.438 -176.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -114.26 141.81 29.19 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 C-N-CA 127.971 2.508 . . . . 0.0 107.384 177.294 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -123.47 144.99 49.18 Favored 'General case' 0 N--CA 1.439 -0.996 0 N-CA-C 101.325 -3.583 . . . . 0.0 101.325 173.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.46 ' CD2' HG22 ' A' ' 37' ' ' THR 0.637 0.1 OUTLIER -96.67 150.4 20.72 Favored 'General case' 0 N--CA 1.449 -0.492 0 O-C-N 118.855 -2.403 . . . . 0.0 110.352 179.946 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . 0.264 1.9 mm -85.69 121.45 37.25 Favored 'Isoleucine or valine' 0 C--N 1.351 0.65 1 C-N-CA 132.306 4.242 . . . . 0.0 102.561 -179.329 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.4 ' HB3' HG21 ' A' ' 37' ' ' THR 0.345 12.5 p-10 -78.64 81.66 4.93 Favored 'General case' 0 C--N 1.366 1.317 0 O-C-N 118.908 -2.37 . . . . 0.0 114.294 -177.093 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.419 ' HE ' ' HA ' ' A' ' 95' ' ' ARG . 1.1 mmp_? -37.59 -96.13 0.0 OUTLIER 'General case' 0 C--N 1.364 1.228 1 C-N-CA 131.846 4.058 . . . . 0.0 116.112 177.553 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -102.8 115.49 64.15 Favored Pre-proline 0 C--N 1.345 0.386 0 O-C-N 120.298 -1.501 . . . . 0.0 107.919 163.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -61.43 -28.37 83.72 Favored 'Trans proline' 0 C--N 1.354 0.833 1 C-N-CA 126.618 4.879 . . . . 0.0 114.359 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -71.12 -20.29 62.34 Favored 'General case' 0 C--N 1.358 0.96 0 C-N-CA 127.492 2.317 . . . . 0.0 111.38 170.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -77.08 -47.23 21.08 Favored 'General case' 0 C--N 1.371 1.505 0 O-C-N 119.44 -2.037 . . . . 0.0 109.129 167.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 66.7 mt -64.92 -50.32 75.6 Favored 'Isoleucine or valine' 0 C--N 1.361 1.093 0 C-N-CA 129.452 3.101 . . . . 0.0 112.635 -178.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -70.53 -24.3 62.79 Favored 'General case' 0 C--N 1.36 1.04 0 O-C-N 119.161 -2.212 . . . . 0.0 113.517 175.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.4 mpt_? -79.92 -34.7 38.71 Favored 'General case' 0 C--N 1.371 1.506 0 C-N-CA 125.347 1.459 . . . . 0.0 109.635 174.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . 0.459 37.6 mt-30 -60.6 -47.76 84.77 Favored 'General case' 0 C--N 1.366 1.292 0 C-N-CA 127.382 2.273 . . . . 0.0 112.963 170.36 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -81.28 -44.57 17.5 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 116.472 2.027 . . . . 0.0 116.472 178.047 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -83.66 -57.95 3.01 Favored 'General case' 0 C--N 1.357 0.927 0 N-CA-C 117.467 2.395 . . . . 0.0 117.467 -176.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.1 mt -80.44 -49.94 10.75 Favored 'General case' 0 C--N 1.365 1.25 0 C-N-CA 127.011 2.124 . . . . 0.0 116.006 -172.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -58.9 -11.76 3.7 Favored 'General case' 0 C--N 1.371 1.506 0 C-N-CA 129.627 3.171 . . . . 0.0 115.539 -177.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp -89.67 -15.48 32.54 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.304 1.842 . . . . 0.0 113.238 177.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.7 tmmm? -105.27 -120.49 0.22 Allowed 'General case' 0 C--N 1.359 1.006 0 C-N-CA 126.819 2.048 . . . . 0.0 110.557 -177.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . 0.25 48.4 mttp 71.97 -50.38 0.69 Allowed 'General case' 0 C--N 1.364 1.22 0 C-N-CA 128.373 2.669 . . . . 0.0 116.539 179.489 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 65.5 tttm . . . . . 0 C--N 1.352 0.705 0 C-N-CA 126.37 1.868 . . . . 0.0 109.037 -179.368 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.498 -0.991 0 N-CA-C 110.286 -1.126 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -39.04 150.97 0.03 OUTLIER 'General case' 0 C--N 1.36 1.048 1 C-N-CA 131.94 4.096 . . . . 0.0 119.821 -178.448 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 50.8 ttt180 69.66 -49.26 0.62 Allowed 'General case' 0 C--N 1.363 1.173 0 N-CA-C 118.376 2.732 . . . . 0.0 118.376 172.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -88.61 -48.42 7.57 Favored 'General case' 0 C--N 1.357 0.905 0 C-N-CA 126.36 1.864 . . . . 0.0 112.736 176.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mm? 66.33 48.88 1.52 Allowed 'General case' 0 C--N 1.365 1.261 0 C-N-CA 128.977 2.911 . . . . 0.0 112.528 -176.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -75.94 151.24 37.34 Favored 'General case' 0 C--N 1.37 1.473 0 N-CA-C 116.034 1.864 . . . . 0.0 116.034 -177.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.75 31.89 4.45 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-O 123.353 1.549 . . . . 0.0 109.808 177.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 65.24 -53.21 0.34 Allowed 'General case' 0 C--N 1.352 0.694 0 C-N-CA 128.896 2.879 . . . . 0.0 118.11 173.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.4 t -123.44 -143.73 0.33 Allowed 'General case' 0 C--N 1.355 0.808 0 C-N-CA 127.682 2.393 . . . . 0.0 107.206 177.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -177.92 -44.0 0.01 OUTLIER 'General case' 0 CA--C 1.506 -0.733 0 N-CA-C 105.476 -2.046 . . . . 0.0 105.476 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 78.87 70.78 0.17 Allowed Pre-proline 0 C--N 1.356 0.879 0 C-N-CA 130.133 3.373 . . . . 0.0 112.431 -175.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -86.06 20.92 1.15 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 C-N-CA 124.724 3.616 . . . . 0.0 111.91 175.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -64.34 -33.94 76.99 Favored 'General case' 0 C--N 1.372 1.583 0 C-N-CA 130.655 3.582 . . . . 0.0 114.01 -178.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -66.27 -9.98 37.87 Favored 'General case' 0 C--N 1.363 1.191 0 C-N-CA 130.533 3.533 . . . . 0.0 114.674 174.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -105.17 15.23 27.83 Favored 'General case' 0 C--N 1.359 0.988 0 C-N-CA 127.96 2.504 . . . . 0.0 111.156 179.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 16.4 tpt -61.21 -37.27 82.39 Favored 'General case' 0 C--N 1.384 2.098 0 C-N-CA 125.612 1.565 . . . . 0.0 112.368 175.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -60.8 -46.45 90.48 Favored 'General case' 0 C--N 1.362 1.139 0 O-C-N 119.63 -1.919 . . . . 0.0 114.312 173.097 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -70.64 -52.76 19.14 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 126.793 2.037 . . . . 0.0 115.141 174.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . 0.257 19.1 m-85 -73.88 -32.31 63.54 Favored 'General case' 0 C--N 1.364 1.198 0 C-N-CA 125.513 1.525 . . . . 0.0 113.831 -178.259 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . 0.478 28.5 p -73.13 -29.72 63.09 Favored 'General case' 0 C--N 1.371 1.517 0 O-C-N 120.907 -1.12 . . . . 0.0 113.518 169.66 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -69.56 -36.03 75.94 Favored 'General case' 0 C--N 1.368 1.411 0 O-C-N 120.339 -1.476 . . . . 0.0 112.035 170.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -74.97 -49.15 20.98 Favored 'General case' 0 C--N 1.363 1.166 0 O-C-N 120.37 -1.457 . . . . 0.0 113.915 172.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.455 ' CZ ' ' CE1' ' A' ' 46' ' ' TYR . 25.6 t80 -73.34 -53.12 11.57 Favored 'General case' 0 C--N 1.366 1.311 0 O-C-N 120.566 -1.334 . . . . 0.0 114.529 177.671 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.398 0.0 OUTLIER -66.93 -32.37 73.57 Favored 'General case' 0 C--N 1.367 1.358 0 CA-C-N 122.109 2.231 . . . . 0.0 116.188 -178.762 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -69.82 -51.17 35.93 Favored 'General case' 0 C--N 1.367 1.341 0 O-C-N 118.913 -2.367 . . . . 0.0 114.992 171.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -68.22 -45.02 74.43 Favored 'General case' 0 C--N 1.363 1.189 0 C-N-CA 126.783 2.033 . . . . 0.0 112.717 -179.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -69.08 -39.32 79.12 Favored 'General case' 0 C--N 1.361 1.099 0 C-N-CA 127.238 2.215 . . . . 0.0 110.788 175.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.43 HD11 HD13 ' A' ' 78' ' ' LEU 0.302 8.2 mt -66.2 -37.18 84.96 Favored 'General case' 0 C--N 1.383 2.053 0 CA-C-N 121.948 2.158 . . . . 0.0 113.068 171.245 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -65.07 -49.62 69.37 Favored 'General case' 0 C--N 1.365 1.262 0 CA-C-N 121.429 1.922 . . . . 0.0 114.796 172.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.29 -37.51 87.55 Favored 'General case' 0 C--N 1.361 1.091 0 C-N-CA 127.085 2.154 . . . . 0.0 115.063 177.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.82 -39.86 76.25 Favored 'General case' 0 C--N 1.366 1.324 0 C-N-CA 128.634 2.774 . . . . 0.0 112.243 171.01 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 84.0 mtm180 -75.18 -41.79 57.24 Favored 'General case' 0 C--N 1.377 1.791 0 O-C-N 120.863 -1.148 . . . . 0.0 113.422 178.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.415 ' O ' HD22 ' A' ' 104' ' ' LEU 0.343 5.1 ptm180 -71.92 -53.36 13.37 Favored 'General case' 0 C--N 1.373 1.622 0 N-CA-C 117.465 2.395 . . . . 0.0 117.465 170.271 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -82.16 -29.54 31.51 Favored 'General case' 0 C--N 1.354 0.775 0 O-C-N 120.518 -1.364 . . . . 0.0 114.166 -168.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -111.82 -31.86 6.81 Favored 'General case' 0 C--N 1.354 0.763 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 -173.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 78.71 -108.39 2.65 Favored Glycine 0 C--N 1.383 3.172 0 O-C-N 119.896 -1.753 . . . . 0.0 112.591 176.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.625 HG21 ' HB3' ' A' ' 94' ' ' ASP . 0.1 OUTLIER -138.84 109.26 6.51 Favored 'General case' 0 CA--C 1.501 -0.917 0 N-CA-C 101.56 -3.496 . . . . 0.0 101.56 165.104 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.3 ttmt -159.68 155.96 26.96 Favored 'General case' 0 N--CA 1.437 -1.118 0 N-CA-C 103.943 -2.614 . . . . 0.0 103.943 -177.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -70.48 107.79 4.0 Favored 'General case' 0 CA--C 1.57 1.719 0 C-N-CA 126.373 1.869 . . . . 0.0 110.139 172.236 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -122.39 153.34 26.92 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.106 0 O-C-N 118.424 -2.672 . . . . 0.0 105.898 -176.27 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 65.0 t-80 -93.92 119.74 33.24 Favored 'General case' 0 C--N 1.35 0.603 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 174.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.412 ' CB ' HD21 ' A' ' 66' ' ' LEU . 41.0 m-20 -54.73 -29.88 54.71 Favored 'General case' 0 C--N 1.369 1.419 0 N-CA-C 117.944 2.572 . . . . 0.0 117.944 -174.104 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -65.94 -26.8 67.75 Favored 'General case' 0 C--N 1.367 1.329 0 C-N-CA 127.322 2.249 . . . . 0.0 112.725 170.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 20.1 mt -75.45 -42.39 42.61 Favored 'Isoleucine or valine' 0 C--N 1.367 1.362 0 C-N-CA 126.136 1.774 . . . . 0.0 110.12 171.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.1 m -72.82 -36.36 52.04 Favored 'Isoleucine or valine' 0 C--N 1.367 1.364 0 C-N-CA 124.756 1.223 . . . . 0.0 113.249 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.455 ' CE1' ' CZ ' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -61.18 -51.15 70.22 Favored 'General case' 0 C--N 1.385 2.123 0 C-N-CA 126.926 2.09 . . . . 0.0 111.08 176.552 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 55.1 m-80 -63.74 -27.84 69.47 Favored 'General case' 0 C--N 1.363 1.168 0 C-N-CA 130.215 3.406 . . . . 0.0 113.334 175.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -73.56 -41.44 62.94 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.302 1.041 . . . . 0.0 112.67 170.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.454 ' CE2' HG23 ' A' ' 50' ' ' ILE 0.276 1.1 t80 -67.44 -52.47 39.24 Favored 'General case' 0 C--N 1.365 1.245 0 C-N-CA 129.804 3.242 . . . . 0.0 113.667 176.728 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.486 HG21 ' O ' ' A' ' 56' ' ' ILE . 4.2 pt -76.3 -4.73 6.48 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 N-CA-C 118.511 2.782 . . . . 0.0 118.511 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 68.2 m -82.94 55.8 3.21 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.683 1.993 . . . . 0.0 108.241 170.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 78.2 m-70 -171.12 -172.73 1.16 Allowed 'General case' 0 C--N 1.356 0.884 1 C-N-CA 132.388 4.275 . . . . 0.0 101.571 -170.739 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.35 -36.66 71.48 Favored 'General case' 0 C--N 1.375 1.688 0 N-CA-C 118.984 2.957 . . . . 0.0 118.984 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -67.56 12.31 0.1 Allowed 'General case' 0 CA--C 1.496 -1.122 2 C-N-CA 134.589 5.156 . . . . 0.0 121.818 -167.213 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.447 ' CD2' HD12 ' A' ' 50' ' ' ILE 0.343 11.9 t-80 -41.22 95.38 0.01 OUTLIER 'General case' 0 C--N 1.362 1.141 0 N-CA-C 119.096 2.998 . . . . 0.0 119.096 179.77 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.486 ' O ' HG21 ' A' ' 50' ' ' ILE . 60.0 mt -134.15 138.16 50.64 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.259 1 C-N-CA 132.846 4.458 . . . . 0.0 101.695 179.79 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.478 ' HB3' HD22 ' A' ' 59' ' ' ASN . 0.1 OUTLIER -116.86 157.64 25.3 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 104.207 -2.516 . . . . 0.0 104.207 168.877 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.23 -14.48 0.26 Allowed 'General case' 0 C--N 1.365 1.255 0 C-N-CA 129.242 3.017 . . . . 0.0 118.787 -171.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.478 HD22 ' HB3' ' A' ' 57' ' ' HIS . 24.8 m-80 -83.02 -20.61 34.73 Favored 'General case' 0 N--CA 1.426 -1.666 0 C-N-CA 131.477 3.911 . . . . 0.0 108.765 -174.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.4 ' HB3' HG23 ' A' ' 56' ' ' ILE . . . -89.14 49.22 1.73 Allowed 'General case' 0 C--N 1.383 2.03 0 C-N-CA 128.651 2.78 . . . . 0.0 111.389 169.262 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 28.9 p -138.99 -143.28 0.16 Allowed 'General case' 0 C--N 1.355 0.847 0 C-N-CA 126.153 1.781 . . . . 0.0 106.716 -177.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -135.82 21.72 3.31 Favored 'General case' 0 C--N 1.365 1.251 0 CA-C-O 124.555 2.121 . . . . 0.0 108.012 174.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.467 ' CE3' ' HB2' ' A' ' 69' ' ' PHE . 3.7 m0 -116.48 156.08 27.48 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 128.863 2.865 . . . . 0.0 108.411 -178.529 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -101.28 -55.57 2.51 Favored 'General case' 0 C--N 1.365 1.249 0 N-CA-C 119.606 3.187 . . . . 0.0 119.606 -170.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.0 t -141.72 35.01 1.61 Allowed 'General case' 0 C--N 1.355 0.832 0 O-C-N 120.155 -1.59 . . . . 0.0 109.602 -169.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.412 HD21 ' CB ' ' A' ' 42' ' ' ASN 0.275 3.4 tp 86.73 -41.9 0.04 OUTLIER 'General case' 0 C--N 1.353 0.724 0 C-N-CA 127.619 2.368 . . . . 0.0 112.495 -177.039 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.538 HG23 ' CZ2' ' A' ' 88' ' ' TRP . 45.8 m -56.85 -39.79 74.93 Favored 'General case' 0 CA--C 1.497 -1.075 1 C-N-CA 132.985 4.514 . . . . 0.0 114.643 -172.307 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.25 -27.38 61.55 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 127.879 2.472 . . . . 0.0 116.206 171.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.467 ' HB2' ' CE3' ' A' ' 63' ' ' TRP . 2.8 t80 -75.57 -36.83 60.28 Favored 'General case' 0 C--N 1.363 1.177 0 C-N-CA 126.905 2.082 . . . . 0.0 108.045 172.28 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . 0.374 0.6 OUTLIER -71.76 -34.5 69.54 Favored 'General case' 0 C--N 1.359 1.022 0 C-N-CA 126.672 1.989 . . . . 0.0 110.917 174.797 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.9 mmtt -63.36 -38.17 90.12 Favored 'General case' 0 C--N 1.37 1.467 0 N-CA-C 116.12 1.896 . . . . 0.0 116.12 166.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 91.1 t90 -80.83 -46.92 14.57 Favored 'General case' 0 C--N 1.369 1.441 0 C-N-CA 126.436 1.894 . . . . 0.0 114.537 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.402 HD21 ' SG ' ' A' ' 79' ' ' CYS 0.33 2.6 tp -65.48 -34.65 78.78 Favored 'General case' 0 C--N 1.351 0.631 0 O-C-N 118.791 -2.443 . . . . 0.0 112.267 176.39 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.45 ' HA2' ' O ' ' A' ' 79' ' ' CYS . . . -56.94 -34.33 65.37 Favored Glycine 0 C--N 1.373 2.602 0 C-N-CA 128.602 3.001 . . . . 0.0 117.57 158.047 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 64.3 ttt-85 -83.68 -46.74 11.98 Favored 'General case' 0 C--N 1.357 0.91 0 C-N-CA 126.51 1.924 . . . . 0.0 115.84 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -68.06 -14.49 63.02 Favored 'General case' 0 C--N 1.36 1.053 0 C-N-CA 128.47 2.708 . . . . 0.0 114.787 -176.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.45 26.14 28.64 Favored Glycine 0 C--N 1.358 1.769 0 CA-C-O 121.46 0.478 . . . . 0.0 112.845 178.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.43 HD13 HD11 ' A' ' 28' ' ' LEU . 87.0 mt -104.29 -31.56 9.51 Favored 'General case' 0 CA--C 1.491 -1.299 0 O-C-N 121.585 -0.95 . . . . 0.0 111.51 176.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.465 ' SG ' HD12 ' A' ' 90' ' ' ILE . 8.0 m -141.89 154.45 45.13 Favored 'General case' 0 CA--C 1.504 -0.809 0 CA-C-N 122.476 2.398 . . . . 0.0 113.487 174.531 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -94.51 144.84 25.24 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 127.456 2.302 . . . . 0.0 105.914 169.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.499 HG22 HG22 ' A' ' 90' ' ' ILE . 0.2 OUTLIER -131.6 155.13 41.46 Favored 'Isoleucine or valine' 0 C--N 1.346 0.431 0 O-C-N 118.128 -2.857 . . . . 0.0 110.639 -175.006 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -151.67 145.5 25.11 Favored 'General case' 0 C--N 1.357 0.926 0 CA-C-N 114.099 -1.41 . . . . 0.0 109.545 175.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -116.1 139.22 50.52 Favored 'General case' 0 C--N 1.364 1.2 0 O-C-N 120.093 -1.629 . . . . 0.0 109.356 176.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.426 ' HB ' ' CD ' ' A' ' 85' ' ' PRO . 33.3 p -125.05 175.63 2.91 Favored Pre-proline 0 CA--C 1.496 -1.132 0 C-N-CA 127.936 2.495 . . . . 0.0 109.903 -176.44 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.426 ' CD ' ' HB ' ' A' ' 84' ' ' THR . 24.5 Cg_exo -68.49 -1.6 7.7 Favored 'Trans proline' 0 N--CA 1.442 -1.557 0 N-CA-C 117.778 2.184 . . . . 0.0 117.778 164.338 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.1 ttpp -123.05 25.89 8.33 Favored 'General case' 0 C--N 1.36 1.041 0 C-N-CA 125.467 1.507 . . . . 0.0 111.122 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 120.42 -163.95 14.01 Favored Glycine 0 C--N 1.367 2.252 0 N-CA-C 118.181 2.032 . . . . 0.0 118.181 175.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.538 ' CZ2' HG23 ' A' ' 67' ' ' THR . 12.3 m95 -104.61 113.32 26.82 Favored 'General case' 0 C--N 1.368 1.392 0 C-N-CA 128.317 2.647 . . . . 0.0 108.613 176.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -109.74 144.53 38.01 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 126.085 1.754 . . . . 0.0 106.55 -178.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.499 HG22 HG22 ' A' ' 81' ' ' VAL . 3.5 pt -130.54 136.94 57.35 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.255 0 C-N-CA 127.3 2.24 . . . . 0.0 107.42 -178.298 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . 0.272 0.0 OUTLIER -120.21 107.61 13.2 Favored 'General case' 0 N--CA 1.433 -1.303 0 N-CA-C 101.375 -3.565 . . . . 0.0 101.375 176.081 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.5 ' O ' HG22 ' A' ' 37' ' ' THR 0.257 87.4 t80 -54.74 148.9 11.96 Favored 'General case' 0 C--N 1.354 0.783 0 C-N-CA 128.666 2.787 . . . . 0.0 114.001 -178.234 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.9 mt -88.05 112.94 24.35 Favored 'Isoleucine or valine' 0 CA--C 1.482 -1.649 0 N-CA-C 104.094 -2.558 . . . . 0.0 104.094 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.625 ' HB3' HG21 ' A' ' 37' ' ' THR 0.31 7.7 p-10 -76.59 95.01 3.83 Favored 'General case' 0 C--N 1.358 0.949 0 CA-C-O 122.182 0.992 . . . . 0.0 111.088 -178.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.409 ' HD3' ' CD2' ' A' ' 78' ' ' LEU . 28.3 mtm180 -59.79 -84.56 0.01 OUTLIER 'General case' 0 N--CA 1.441 -0.889 0 C-N-CA 129.762 3.225 . . . . 0.0 113.268 -170.749 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -102.15 119.31 56.95 Favored Pre-proline 0 CA--C 1.518 -0.28 0 CA-C-O 115.348 -2.263 . . . . 0.0 106.805 162.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -61.09 -25.89 81.93 Favored 'Trans proline' 0 C--N 1.352 0.716 1 C-N-CA 126.667 4.911 . . . . 0.0 115.877 -176.508 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.43 ' O ' ' HB3' ' A' ' 102' ' ' ARG . 8.3 mp0 -62.83 -40.55 97.76 Favored 'General case' 0 C--N 1.374 1.64 0 C-N-CA 124.715 1.206 . . . . 0.0 109.263 166.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.459 HG22 HD12 ' A' ' 100' ' ' ILE . 0.8 OUTLIER -62.97 -28.0 69.79 Favored 'General case' 0 C--O 1.214 -0.809 0 O-C-N 118.429 -2.669 . . . . 0.0 115.484 172.839 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.459 HD12 HG22 ' A' ' 99' ' ' THR . 1.8 mp -75.4 -50.54 23.74 Favored 'Isoleucine or valine' 0 C--N 1.362 1.119 0 C-N-CA 128.063 2.545 . . . . 0.0 112.6 168.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -76.01 -41.25 51.62 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 126.166 1.787 . . . . 0.0 114.566 -178.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.43 ' HB3' ' O ' ' A' ' 98' ' ' GLU 0.396 0.0 OUTLIER -71.45 -33.96 69.81 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 126.232 1.813 . . . . 0.0 112.216 179.944 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.448 ' HB2' ' O ' ' A' ' 99' ' ' THR . 4.1 tp60 -60.45 -35.95 77.05 Favored 'General case' 0 C--N 1.359 1.002 0 C-N-CA 126.191 1.796 . . . . 0.0 115.65 169.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.415 HD22 ' O ' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -81.72 -56.51 3.95 Favored 'General case' 0 C--N 1.359 0.988 0 C-N-CA 124.563 1.145 . . . . 0.0 112.465 172.238 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -66.63 -35.02 79.18 Favored 'General case' 0 C--N 1.367 1.34 0 N-CA-C 116.909 2.188 . . . . 0.0 116.909 -174.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 8.6 mt -83.29 -51.46 7.42 Favored 'General case' 0 C--N 1.364 1.231 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 176.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -67.84 -22.16 65.16 Favored 'General case' 0 C--N 1.368 1.412 0 C-N-CA 126.256 1.822 . . . . 0.0 113.671 -178.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 40.4 mttm -123.02 42.04 3.3 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 113.091 -1.868 . . . . 0.0 112.916 175.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 75.2 tttt -77.07 -38.51 52.4 Favored 'General case' 0 CA--C 1.515 -0.397 0 C-N-CA 127.548 2.339 . . . . 0.0 115.02 -177.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 35.1 mtmm 69.82 -53.87 0.61 Allowed 'General case' 0 C--N 1.36 1.044 0 C-N-CA 128.167 2.587 . . . . 0.0 116.29 178.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 84.0 tttt . . . . . 0 C--N 1.353 0.756 0 C-N-CA 126.25 1.82 . . . . 0.0 110.005 -178.203 . . . . . . . . 0 0 . 1 stop_ save_